(1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid

C21H21NO5 — CID 11624815

IUPAC(1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1C[C@@H](C(=O)O)C[C@@H]1O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO5/c23-19-10-12(20(24)25)9-18(19)22-21(26)27-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-19,23H,9-11H2,(H,22,26)(H,24,25)/t12-,18+,19+/m1/s1
InChIKeyRFEIXJVYVWUFFW-HQOQDVMHSA-N
MW367.40 g/mol
LogP2.75
Rot. Bonds4

About (1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid

(1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid (PubChem CID 11624815) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is (1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid
PubChem CID11624815
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name(1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1C[C@@H](C(=O)O)C[C@@H]1O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO5/c23-19-10-12(20(24)25)9-18(19)22-21(26)27-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-19,23H,9-11H2,(H,22,26)(H,24,25)/t12-,18+,19+/m1/s1
InChIKeyRFEIXJVYVWUFFW-HQOQDVMHSA-N
XLogP2.75
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
1-[(1S,5S,6R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.2.0]heptane-3-carbonyl]azetidine-3-carboxylic acid
CID 178193577
9H-fluoren-9-ylmethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130689635
2-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid
CID 165449157
2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetic acid
CID 170899998
cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 178198355
3-aminocyclohexane-1-carboxylic acid;3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 70071243
(1S,2S,3S,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
CID 102260015
9H-fluoren-9-ylmethyl N-(2-methylcyclohexyl)carbamate
CID 70659072
(1S,2R,4R,5S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4,5-dihydroxycyclohexane-1-carboxylic acid
CID 155821553

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of (1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid (CID 11624815) is (1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid is O=C(N[C@H]1C[C@@H](C(=O)O)C[C@@H]1O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is RFEIXJVYVWUFFW-HQOQDVMHSA-N. The full InChI is InChI=1S/C21H21NO5/c23-19-10-12(20(24)25)9-18(19)22-21(26)27-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-19,23H,9-11H2,(H,22,26)(H,24,25)/t12-,18+,19+/m1/s1.
What are the key properties of (1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid?
(1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 367.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 11624815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).