(2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid

C15H26N2O5 — CID 141217799

IUPAC(2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid
SMILESNC(=O)CCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)O
InChIInChI=1S/C15H26N2O5/c16-13(18)10-4-2-1-3-9-12(14(19)20)17-15(21)22-11-7-5-6-8-11/h11-12H,1-10H2,(H2,16,18)(H,17,21)(H,19,20)/t12-/m0/s1
InChIKeyCUICWGFGAQFEFK-LBPRGKRZSA-N
MW314.38 g/mol
LogP1.93
Rot. Bonds10

About (2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid

(2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid (PubChem CID 141217799) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid.

Molecular Properties

Compound Name(2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid
PubChem CID141217799
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name(2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid
SMILESNC(=O)CCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)O
InChIInChI=1S/C15H26N2O5/c16-13(18)10-4-2-1-3-9-12(14(19)20)17-15(21)22-11-7-5-6-8-11/h11-12H,1-10H2,(H2,16,18)(H,17,21)(H,19,20)/t12-/m0/s1
InChIKeyCUICWGFGAQFEFK-LBPRGKRZSA-N
XLogP1.93
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid
CID 141217809
(8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid
CID 59493635
(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 102962992
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
8-amino-2-methyl-8-oxooctanoic acid
CID 57306810
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529
N-cyclohexylcyclohexanamine;(2R)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 122173545
(2S)-1-[(4R)-4-[[(2S)-6-amino-2-(cyclobutyloxycarbonylamino)hexanoyl]amino]-4-carboxybutanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 15631018
(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 107830206
5-cyclopentyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 68967684
20-[(4-amino-1-carboxy-4-oxobutyl)amino]-20-oxoicosanoic acid
CID 88943806

Frequently Asked Questions

What is the IUPAC name of (2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid?
The IUPAC name of (2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid (CID 141217799) is (2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid.
What is the SMILES notation for (2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid?
The canonical SMILES for (2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid is NC(=O)CCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)O.
What is the InChIKey of (2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid?
The InChIKey is CUICWGFGAQFEFK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O5/c16-13(18)10-4-2-1-3-9-12(14(19)20)17-15(21)22-11-7-5-6-8-11/h11-12H,1-10H2,(H2,16,18)(H,17,21)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid?
(2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid has a molecular weight of 314.38 g/mol, XLogP of 1.93, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid is sourced from PubChem (CID 141217799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).