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

C27H30N2O6 — CID 178192677

IUPAC4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](CC(=O)N2CCOC(C(=O)O)C2)C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O6/c30-25(29-11-12-34-24(15-29)26(31)32)14-17-9-10-18(13-17)28-27(33)35-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,17-18,23-24H,9-16H2,(H,28,33)(H,31,32)/t17-,18+,24?/m0/s1
InChIKeyRDGFVSUXXXWKFI-ZKIJEIRCSA-N
MW478.55 g/mol
LogP3.40
Rot. Bonds6

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

4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid (PubChem CID 178192677) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid
PubChem CID178192677
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](CC(=O)N2CCOC(C(=O)O)C2)C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O6/c30-25(29-11-12-34-24(15-29)26(31)32)14-17-9-10-18(13-17)28-27(33)35-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,17-18,23-24H,9-16H2,(H,28,33)(H,31,32)/t17-,18+,24?/m0/s1
InChIKeyRDGFVSUXXXWKFI-ZKIJEIRCSA-N
XLogP3.40
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-ethyl-1-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]azetidine-3-carboxylic acid
CID 178202480
4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]thiomorpholine-3-carboxylic acid
CID 178191565
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
4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid
CID 178192493
1-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 178191271
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
(2S)-4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-2-hydroxybutanoic acid
CID 178198507
(2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid
CID 178202412
4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 178193153
9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate
CID 71079728

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid (CID 178192677) is 4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid is O=C(N[C@@H]1CC[C@H](CC(=O)N2CCOC(C(=O)O)C2)C1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid?
The InChIKey is RDGFVSUXXXWKFI-ZKIJEIRCSA-N. The full InChI is InChI=1S/C27H30N2O6/c30-25(29-11-12-34-24(15-29)26(31)32)14-17-9-10-18(13-17)28-27(33)35-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,17-18,23-24H,9-16H2,(H,28,33)(H,31,32)/t17-,18+,24?/m0/s1.
What are the key properties of 4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid?
4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid has a molecular weight of 478.55 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 178192677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).