(3R)-3-amino-3-cyclopentylbutanoic acid

C9H17NO2 — CID 55294909

IUPAC(3R)-3-amino-3-cyclopentylbutanoic acid
SMILESC[C@@](N)(CC(=O)O)C1CCCC1
InChIInChI=1S/C9H17NO2/c1-9(10,6-8(11)12)7-4-2-3-5-7/h7H,2-6,10H2,1H3,(H,11,12)/t9-/m1/s1
InChIKeyQAHSSUYWERNKMM-SECBINFHSA-N
MW171.24 g/mol
LogP1.37
Rot. Bonds3

About (3R)-3-amino-3-cyclopentylbutanoic acid

(3R)-3-amino-3-cyclopentylbutanoic acid (PubChem CID 55294909) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3R)-3-amino-3-cyclopentylbutanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-cyclopentylbutanoic acid
PubChem CID55294909
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3R)-3-amino-3-cyclopentylbutanoic acid
SMILESC[C@@](N)(CC(=O)O)C1CCCC1
InChIInChI=1S/C9H17NO2/c1-9(10,6-8(11)12)7-4-2-3-5-7/h7H,2-6,10H2,1H3,(H,11,12)/t9-/m1/s1
InChIKeyQAHSSUYWERNKMM-SECBINFHSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

3-amino-3-cyclopentylbutanoic acid
CID 55295139
3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 123134609
(3R)-3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 175307569
3-cyclopentyl-4-hydroxy-3-methylbutanoic acid
CID 105442131
3-cyclohexyl-3-(dimethylamino)butanoic acid
CID 64527768
3-cycloheptyl-3-methoxybutanoic acid
CID 105467922
2-cyclopentylbutan-2-amine
CID 43810238
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
2-cyclopentyl-2-hydroxybutanedioic acid
CID 165483001
3-amino-1-cyclopentyl-3-methylbutan-1-one
CID 82412671
2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid
CID 18966300
3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid
CID 64528337

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-cyclopentylbutanoic acid?
The IUPAC name of (3R)-3-amino-3-cyclopentylbutanoic acid (CID 55294909) is (3R)-3-amino-3-cyclopentylbutanoic acid.
What is the SMILES notation for (3R)-3-amino-3-cyclopentylbutanoic acid?
The canonical SMILES for (3R)-3-amino-3-cyclopentylbutanoic acid is C[C@@](N)(CC(=O)O)C1CCCC1.
What is the InChIKey of (3R)-3-amino-3-cyclopentylbutanoic acid?
The InChIKey is QAHSSUYWERNKMM-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(10,6-8(11)12)7-4-2-3-5-7/h7H,2-6,10H2,1H3,(H,11,12)/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-cyclopentylbutanoic acid?
(3R)-3-amino-3-cyclopentylbutanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-cyclopentylbutanoic acid is sourced from PubChem (CID 55294909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).