(3S)-3-amino-4-cyclopentylbutanoic acid

C9H17NO2 — CID 55254497

IUPAC(3S)-3-amino-4-cyclopentylbutanoic acid
SMILESN[C@H](CC(=O)O)CC1CCCC1
InChIInChI=1S/C9H17NO2/c10-8(6-9(11)12)5-7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyLREMTHPUZSUFPH-QMMMGPOBSA-N
MW171.24 g/mol
LogP1.37
Rot. Bonds4

About (3S)-3-amino-4-cyclopentylbutanoic acid

(3S)-3-amino-4-cyclopentylbutanoic acid (PubChem CID 55254497) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3S)-3-amino-4-cyclopentylbutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-cyclopentylbutanoic acid
PubChem CID55254497
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3S)-3-amino-4-cyclopentylbutanoic acid
SMILESN[C@H](CC(=O)O)CC1CCCC1
InChIInChI=1S/C9H17NO2/c10-8(6-9(11)12)5-7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyLREMTHPUZSUFPH-QMMMGPOBSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-cyclopentylbutanoic acid?
The IUPAC name of (3S)-3-amino-4-cyclopentylbutanoic acid (CID 55254497) is (3S)-3-amino-4-cyclopentylbutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-cyclopentylbutanoic acid?
The canonical SMILES for (3S)-3-amino-4-cyclopentylbutanoic acid is N[C@H](CC(=O)O)CC1CCCC1.
What is the InChIKey of (3S)-3-amino-4-cyclopentylbutanoic acid?
The InChIKey is LREMTHPUZSUFPH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2/c10-8(6-9(11)12)5-7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1.
What are the key properties of (3S)-3-amino-4-cyclopentylbutanoic acid?
(3S)-3-amino-4-cyclopentylbutanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-cyclopentylbutanoic acid is sourced from PubChem (CID 55254497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).