(2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid

C28H34N2O5 — CID 178202412

IUPAC(2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1)C(=O)O
InChIInChI=1S/C28H34N2O5/c1-28(2,3)25(26(32)33)30-24(31)15-17-12-13-18(14-17)29-27(34)35-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,17-18,23,25H,12-16H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t17-,18+,25-/m0/s1
InChIKeyPQQJKEUORKVFNM-ATLLOTDBSA-N
MW478.59 g/mol
LogP4.70
Rot. Bonds7

About (2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid

(2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 178202412) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is (2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid
PubChem CID178202412
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name(2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1)C(=O)O
InChIInChI=1S/C28H34N2O5/c1-28(2,3)25(26(32)33)30-24(31)15-17-12-13-18(14-17)29-27(34)35-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,17-18,23,25H,12-16H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t17-,18+,25-/m0/s1
InChIKeyPQQJKEUORKVFNM-ATLLOTDBSA-N
XLogP4.70
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid
CID 178192394
(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
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-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid
CID 165495782
(2S)-4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-2-hydroxybutanoic acid
CID 178198507
1-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 178191271
9H-fluoren-9-ylmethyl N-[(1S,3R)-3-(bromomethyl)cyclopentyl]carbamate
CID 167727172
2-[2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]ethoxy]acetic acid
CID 178192454
cis-(1R,3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 178196079
(2S)-2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 178199189

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid (CID 178202412) is (2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is PQQJKEUORKVFNM-ATLLOTDBSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-28(2,3)25(26(32)33)30-24(31)15-17-12-13-18(14-17)29-27(34)35-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,17-18,23,25H,12-16H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t17-,18+,25-/m0/s1.
What are the key properties of (2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid?
(2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 478.59 g/mol, XLogP of 4.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 178202412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).