3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid

C28H32N2O5 — CID 178195796

IUPAC3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)[C@H]1C[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1
InChIInChI=1S/C28H32N2O5/c31-26(32)14-25(17-7-1-2-8-17)30-27(33)23-13-18(23)15-29-28(34)35-16-24-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24/h3-6,9-12,17-18,23-25H,1-2,7-8,13-16H2,(H,29,34)(H,30,33)(H,31,32)/t18-,23-,25?/m0/s1
InChIKeyGDMKIHOSCUWOEO-CFSTZMPOSA-N
MW476.57 g/mol
LogP4.31
Rot. Bonds9

About 3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid

3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 178195796) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is 3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid
PubChem CID178195796
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)[C@H]1C[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1
InChIInChI=1S/C28H32N2O5/c31-26(32)14-25(17-7-1-2-8-17)30-27(33)23-13-18(23)15-29-28(34)35-16-24-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24/h3-6,9-12,17-18,23-25H,1-2,7-8,13-16H2,(H,29,34)(H,30,33)(H,31,32)/t18-,23-,25?/m0/s1
InChIKeyGDMKIHOSCUWOEO-CFSTZMPOSA-N
XLogP4.31
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid with MolForge

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Related Compounds

(3S)-3-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7015473
4-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 178195999
2-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-phenylacetic acid
CID 178198967
(2S)-2-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]butanoic acid
CID 178195621
4-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 178191454
trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193550
2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178191792
trans-(1S,2R)-2-[[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178195996
(1S,2R,4R,5S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4,5-dihydroxycyclohexane-1-carboxylic acid
CID 155821553
3-cyclopentyl-3-[[(E)-4-(9H-fluoren-9-ylmethoxycarbonylamino)but-2-enoyl]amino]propanoic acid
CID 165497079
1-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]cyclopropane-1-carboxylic acid
CID 178195666
trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178195541

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of 3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid (CID 178195796) is 3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid is O=C(O)CC(NC(=O)[C@H]1C[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is GDMKIHOSCUWOEO-CFSTZMPOSA-N. The full InChI is InChI=1S/C28H32N2O5/c31-26(32)14-25(17-7-1-2-8-17)30-27(33)23-13-18(23)15-29-28(34)35-16-24-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24/h3-6,9-12,17-18,23-25H,1-2,7-8,13-16H2,(H,29,34)(H,30,33)(H,31,32)/t18-,23-,25?/m0/s1.
What are the key properties of 3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid?
3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 476.57 g/mol, XLogP of 4.31, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 178195796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).