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

C8H15NO2 — CID 66644622

IUPAC(3S)-3-amino-4-cyclobutylbutanoic acid
SMILESN[C@H](CC(=O)O)CC1CCC1
InChIInChI=1S/C8H15NO2/c9-7(5-8(10)11)4-6-2-1-3-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
InChIKeyHQGQIHNQLDTLII-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.98
Rot. Bonds4

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

(3S)-3-amino-4-cyclobutylbutanoic acid (PubChem CID 66644622) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3S)-3-amino-4-cyclobutylbutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-cyclobutylbutanoic acid
PubChem CID66644622
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3S)-3-amino-4-cyclobutylbutanoic acid
SMILESN[C@H](CC(=O)O)CC1CCC1
InChIInChI=1S/C8H15NO2/c9-7(5-8(10)11)4-6-2-1-3-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
InChIKeyHQGQIHNQLDTLII-ZETCQYMHSA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.98
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-cyclobutylbutanoic acid?
The IUPAC name of (3S)-3-amino-4-cyclobutylbutanoic acid (CID 66644622) is (3S)-3-amino-4-cyclobutylbutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-cyclobutylbutanoic acid?
The canonical SMILES for (3S)-3-amino-4-cyclobutylbutanoic acid is N[C@H](CC(=O)O)CC1CCC1.
What is the InChIKey of (3S)-3-amino-4-cyclobutylbutanoic acid?
The InChIKey is HQGQIHNQLDTLII-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c9-7(5-8(10)11)4-6-2-1-3-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-4-cyclobutylbutanoic acid?
(3S)-3-amino-4-cyclobutylbutanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.98, 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-cyclobutylbutanoic acid is sourced from PubChem (CID 66644622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).