2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid

C27H32N2O6 — CID 165499748

IUPAC2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid
SMILESCOC(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[C@H](CC(=O)O)C1
InChIInChI=1S/C27H32N2O6/c1-34-24(26(32)29-18-11-10-17(14-18)15-25(30)31)12-13-28-27(33)35-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-9,17-18,23-24H,10-16H2,1H3,(H,28,33)(H,29,32)(H,30,31)/t17-,18+,24?/m0/s1
InChIKeyXZJAFFXEYMEINX-ZKIJEIRCSA-N
MW480.56 g/mol
LogP3.69
Rot. Bonds10

About 2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid

2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid (PubChem CID 165499748) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid
PubChem CID165499748
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid
SMILESCOC(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[C@H](CC(=O)O)C1
InChIInChI=1S/C27H32N2O6/c1-34-24(26(32)29-18-11-10-17(14-18)15-25(30)31)12-13-28-27(33)35-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-9,17-18,23-24H,10-16H2,1H3,(H,28,33)(H,29,32)(H,30,31)/t17-,18+,24?/m0/s1
InChIKeyXZJAFFXEYMEINX-ZKIJEIRCSA-N
XLogP3.69
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

(3R,5R)-5-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]methyl]oxolane-3-carboxylic acid
CID 178193373
(2S)-4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-2-hydroxybutanoic acid
CID 178198507
2-[(1S,3R)-3-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]amino]cyclopentyl]acetic acid
CID 178192400
(2S)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3-methoxypropanoic acid
CID 165460540
(2S)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-2-hydroxypropanoic acid
CID 178193478
2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid
CID 178192454
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]amino]-3-hydroxy-3-methylbutanoic acid
CID 178193153
cis-(1S,3R)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 178193480
(2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid
CID 178202412
9H-fluoren-9-ylmethyl N-[(1S,3R)-3-(bromomethyl)cyclopentyl]carbamate
CID 167727172
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride
CID 18356260

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid (CID 165499748) is 2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid is COC(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[C@H](CC(=O)O)C1.
What is the InChIKey of 2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid?
The InChIKey is XZJAFFXEYMEINX-ZKIJEIRCSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-34-24(26(32)29-18-11-10-17(14-18)15-25(30)31)12-13-28-27(33)35-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-9,17-18,23-24H,10-16H2,1H3,(H,28,33)(H,29,32)(H,30,31)/t17-,18+,24?/m0/s1.
What are the key properties of 2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid?
2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid has a molecular weight of 480.56 g/mol, XLogP of 3.69, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 165499748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).