(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid

C13H23NO4 — CID 107833146

IUPAC(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
SMILESCC(C)CC1(C(=O)NC[C@H](O)C(=O)O)CCCC1
InChIInChI=1S/C13H23NO4/c1-9(2)7-13(5-3-4-6-13)12(18)14-8-10(15)11(16)17/h9-10,15H,3-8H2,1-2H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeySIUOPRUNNRCOJS-JTQLQIEISA-N
MW257.33 g/mol
LogP1.15
Rot. Bonds6

About (2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid

(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid (PubChem CID 107833146) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
PubChem CID107833146
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
SMILESCC(C)CC1(C(=O)NC[C@H](O)C(=O)O)CCCC1
InChIInChI=1S/C13H23NO4/c1-9(2)7-13(5-3-4-6-13)12(18)14-8-10(15)11(16)17/h9-10,15H,3-8H2,1-2H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeySIUOPRUNNRCOJS-JTQLQIEISA-N
XLogP1.15
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
N-(2-bromo-4-methylpentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107157722
3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid
CID 103152651
(2S)-2-hydroxy-3-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 107833610
(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835729
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
N-(4-bromo-2-ethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114317729
N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 103825192
1-ethyl-N-[(2R)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 83059320
N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 104857707
N-(5-bromopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107321660
N-(5-iodopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107322176

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid (CID 107833146) is (2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid is CC(C)CC1(C(=O)NC[C@H](O)C(=O)O)CCCC1.
What is the InChIKey of (2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid?
The InChIKey is SIUOPRUNNRCOJS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(2)7-13(5-3-4-6-13)12(18)14-8-10(15)11(16)17/h9-10,15H,3-8H2,1-2H3,(H,14,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid?
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 107833146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).