N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C15H22N2O4 — CID 97000559

IUPACN-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCC[C@@]1(C)CO
InChIInChI=1S/C15H22N2O4/c1-10(16-14(20)11-5-7-21-8-11)13(19)17-12-4-3-6-15(12,2)9-18/h5,7-8,10,12,18H,3-4,6,9H2,1-2H3,(H,16,20)(H,17,19)/t10-,12-,15-/m0/s1
InChIKeyWKUQTHRSMMEYEM-WBIUFABUSA-N
MW294.35 g/mol
LogP1.07
Rot. Bonds5

About N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 97000559) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID97000559
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCC[C@@]1(C)CO
InChIInChI=1S/C15H22N2O4/c1-10(16-14(20)11-5-7-21-8-11)13(19)17-12-4-3-6-15(12,2)9-18/h5,7-8,10,12,18H,3-4,6,9H2,1-2H3,(H,16,20)(H,17,19)/t10-,12-,15-/m0/s1
InChIKeyWKUQTHRSMMEYEM-WBIUFABUSA-N
XLogP1.07
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 97000557
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
2-(furan-3-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214058
N-[(2S)-1-oxo-1-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734055
N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734053
N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide
CID 51965104
N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 47342208
N-[(2R)-1-[[(3R)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94196077
N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964853
N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94196075
N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide
CID 55839167
(3aS,6aR)-2-[2-(furan-3-carbonylamino)propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682749

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 97000559) is N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCC[C@@]1(C)CO.
What is the InChIKey of N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is WKUQTHRSMMEYEM-WBIUFABUSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(16-14(20)11-5-7-21-8-11)13(19)17-12-4-3-6-15(12,2)9-18/h5,7-8,10,12,18H,3-4,6,9H2,1-2H3,(H,16,20)(H,17,19)/t10-,12-,15-/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 97000559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).