4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid

C27H32N2O5 — CID 178198509

IUPAC4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C27H32N2O5/c1-29(14-6-11-26(31)32)25(30)16-18-12-13-19(15-18)28-27(33)34-17-24-22-9-4-2-7-20(22)21-8-3-5-10-23(21)24/h2-5,7-10,18-19,24H,6,11-17H2,1H3,(H,28,33)(H,31,32)/t18-,19+/m0/s1
InChIKeyIYDDKKMCHYXNOC-RBUKOAKNSA-N
MW464.56 g/mol
LogP4.41
Rot. Bonds9

About 4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid

4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid (PubChem CID 178198509) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is 4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid
PubChem CID178198509
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C27H32N2O5/c1-29(14-6-11-26(31)32)25(30)16-18-12-13-19(15-18)28-27(33)34-17-24-22-9-4-2-7-20(22)21-8-3-5-10-23(21)24/h2-5,7-10,18-19,24H,6,11-17H2,1H3,(H,28,33)(H,31,32)/t18-,19+/m0/s1
InChIKeyIYDDKKMCHYXNOC-RBUKOAKNSA-N
XLogP4.41
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid with MolForge

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Related Compounds

2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-propylamino]acetic acid
CID 178198227
cis-(1S,3R)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 178193480
9H-fluoren-9-ylmethyl N-[(1S,3R)-3-(bromomethyl)cyclopentyl]carbamate
CID 167727172
2-[ethyl-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]acetic acid
CID 165494795
4-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]-methylamino]butanoic acid
CID 178199282
4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 178193153
2-[(1S,3R)-3-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]amino]cyclopentyl]acetic acid
CID 178192400
(2S)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-2-hydroxypropanoic acid
CID 178193478
5-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-methylamino]pentanoic acid
CID 178194052
2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid
CID 178192454
(2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid
CID 178202412
1-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 178191271

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid (CID 178198509) is 4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)C[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid?
The InChIKey is IYDDKKMCHYXNOC-RBUKOAKNSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-29(14-6-11-26(31)32)25(30)16-18-12-13-19(15-18)28-27(33)34-17-24-22-9-4-2-7-20(22)21-8-3-5-10-23(21)24/h2-5,7-10,18-19,24H,6,11-17H2,1H3,(H,28,33)(H,31,32)/t18-,19+/m0/s1.
What are the key properties of 4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid?
4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid has a molecular weight of 464.56 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid is sourced from PubChem (CID 178198509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).