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

C28H34N2O5 — CID 178192394

IUPAC(2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic 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/c1-17(2)13-25(27(32)33)30-26(31)15-18-11-12-19(14-18)29-28(34)35-16-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-10,17-19,24-25H,11-16H2,1-2H3,(H,29,34)(H,30,31)(H,32,33)/t18-,19+,25-/m0/s1
InChIKeyBRLSTBRCXIDYPD-CEYNDMKZSA-N
MW478.59 g/mol
LogP4.70
Rot. Bonds9

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

(2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid (PubChem CID 178192394) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is (2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid
PubChem CID178192394
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name(2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic 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/c1-17(2)13-25(27(32)33)30-26(31)15-18-11-12-19(14-18)29-28(34)35-16-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-10,17-19,24-25H,11-16H2,1-2H3,(H,29,34)(H,30,31)(H,32,33)/t18-,19+,25-/m0/s1
InChIKeyBRLSTBRCXIDYPD-CEYNDMKZSA-N
XLogP4.70
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
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 (2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3-methoxypropanoic acid
CID 165460540
(2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid
CID 165495782
(2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid
CID 178202412
(2S)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-2-hydroxypropanoic acid
CID 178193478
cis-(1S,3R)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 178193480
(2S)-4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-2-hydroxybutanoic acid
CID 178198507
2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-4-methylhexanoic acid
CID 178192100
1-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 178191271
4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 178193153
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]-4-methylpentanoic acid
CID 165456603
(2S)-2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 178192977
9H-fluoren-9-ylmethyl N-[(1S,3R)-3-(bromomethyl)cyclopentyl]carbamate
CID 167727172

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid (CID 178192394) is (2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic 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 (2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is BRLSTBRCXIDYPD-CEYNDMKZSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-17(2)13-25(27(32)33)30-26(31)15-18-11-12-19(14-18)29-28(34)35-16-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-10,17-19,24-25H,11-16H2,1-2H3,(H,29,34)(H,30,31)(H,32,33)/t18-,19+,25-/m0/s1.
What are the key properties of (2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid?
(2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 478.59 g/mol, XLogP of 4.70, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 178192394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).