4-amino-3-cyclopentylbutanoic acid

C9H17NO2 — CID 10130168

IUPAC4-amino-3-cyclopentylbutanoic acid
SMILESNCC(CC(=O)O)C1CCCC1
InChIInChI=1S/C9H17NO2/c10-6-8(5-9(11)12)7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12)
InChIKeyISPRESQXVWDLJS-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.23
Rot. Bonds4

About 4-amino-3-cyclopentylbutanoic acid

4-amino-3-cyclopentylbutanoic acid (PubChem CID 10130168) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-amino-3-cyclopentylbutanoic acid.

Molecular Properties

Compound Name4-amino-3-cyclopentylbutanoic acid
PubChem CID10130168
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-amino-3-cyclopentylbutanoic acid
SMILESNCC(CC(=O)O)C1CCCC1
InChIInChI=1S/C9H17NO2/c10-6-8(5-9(11)12)7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12)
InChIKeyISPRESQXVWDLJS-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclopentylbutanoic acid?
The IUPAC name of 4-amino-3-cyclopentylbutanoic acid (CID 10130168) is 4-amino-3-cyclopentylbutanoic acid.
What is the SMILES notation for 4-amino-3-cyclopentylbutanoic acid?
The canonical SMILES for 4-amino-3-cyclopentylbutanoic acid is NCC(CC(=O)O)C1CCCC1.
What is the InChIKey of 4-amino-3-cyclopentylbutanoic acid?
The InChIKey is ISPRESQXVWDLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c10-6-8(5-9(11)12)7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12).
What are the key properties of 4-amino-3-cyclopentylbutanoic acid?
4-amino-3-cyclopentylbutanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyclopentylbutanoic acid is sourced from PubChem (CID 10130168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).