2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid

C24H32N6O5 — CID 162801206

IUPAC2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@@H]2OC[C@@H]3NC(=O)CC2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C24H32N6O5/c1-29(2)16-7-5-15(6-8-16)23-26-27-28-30(23)18-14-35-21-17(13-34-22(18)21)25-19(31)11-24(12-20(32)33)9-3-4-10-24/h5-8,17-18,21-22H,3-4,9-14H2,1-2H3,(H,25,31)(H,32,33)/t17-,18+,21-,22+/m0/s1
InChIKeyHMOIGDYYBFPWMS-GKJHBJHPSA-N
MW484.56 g/mol
LogP1.65
Rot. Bonds8

About 2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 162801206) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID162801206
Molecular FormulaC24H32N6O5
Molecular Weight484.56 g/mol
Exact Mass484.24
IUPAC Name2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@@H]2OC[C@@H]3NC(=O)CC2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C24H32N6O5/c1-29(2)16-7-5-15(6-8-16)23-26-27-28-30(23)18-14-35-21-17(13-34-22(18)21)25-19(31)11-24(12-20(32)33)9-3-4-10-24/h5-8,17-18,21-22H,3-4,9-14H2,1-2H3,(H,25,31)(H,32,33)/t17-,18+,21-,22+/m0/s1
InChIKeyHMOIGDYYBFPWMS-GKJHBJHPSA-N
XLogP1.65
TPSA131.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid with MolForge

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Related Compounds

4-[[(3S,3aR,6S,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-4-oxobutanoate
CID 11879663
N-[6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methoxybenzamide
CID 73131095
N-[(3S,3aR,6S,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methoxybenzamide
CID 11867512
N-[(3S,3aR,6S,6aR)-6-[5-(1,3-benzodioxol-5-yl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(dimethylamino)benzamide
CID 11879710
N-[(3R,3aR,6S,6aS)-6-(5-phenyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methoxyacetamide
CID 162916089
[(3R,3aR,6R,6aR)-3-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-benzylcarbamate
CID 162809089
1-[(3S,3aR,6aR)-6-(5-phenyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-cyclohexylurea
CID 163446334
2-[[(3S,3aR,6S,6aR)-6-(5-phenyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]benzoic acid
CID 11886287
2-[[(3S,3aR,6S,6aR)-6-(5-phenyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]benzoate
CID 11886286
N-[(3S,3aR,6S,6aR)-6-[5-(1,3-benzodioxol-5-yl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-phenoxyacetamide
CID 11887241
1-naphthalen-1-yl-3-[6-(5-phenyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]urea
CID 73134378
1-[(3S,3aS,6R,6aR)-6-(5-phenyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-naphthalen-1-ylurea
CID 162804195

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 162801206) is 2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid is CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@@H]2OC[C@@H]3NC(=O)CC2(CC(=O)O)CCCC2)cc1.
What is the InChIKey of 2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is HMOIGDYYBFPWMS-GKJHBJHPSA-N. The full InChI is InChI=1S/C24H32N6O5/c1-29(2)16-7-5-15(6-8-16)23-26-27-28-30(23)18-14-35-21-17(13-34-22(18)21)25-19(31)11-24(12-20(32)33)9-3-4-10-24/h5-8,17-18,21-22H,3-4,9-14H2,1-2H3,(H,25,31)(H,32,33)/t17-,18+,21-,22+/m0/s1.
What are the key properties of 2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 484.56 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 162801206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).