3-(propan-2-ylamino)butanoic acid

C7H15NO2 — CID 23346829

IUPAC3-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(C)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-5(2)8-6(3)4-7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)
InChIKeyMYCXVCIWQRXWFS-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.85
Rot. Bonds4

About 3-(propan-2-ylamino)butanoic acid

3-(propan-2-ylamino)butanoic acid (PubChem CID 23346829) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name3-(propan-2-ylamino)butanoic acid
PubChem CID23346829
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(C)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-5(2)8-6(3)4-7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)
InChIKeyMYCXVCIWQRXWFS-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)butanoic acid?
The IUPAC name of 3-(propan-2-ylamino)butanoic acid (CID 23346829) is 3-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 3-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 3-(propan-2-ylamino)butanoic acid is CC(C)NC(C)CC(=O)O.
What is the InChIKey of 3-(propan-2-ylamino)butanoic acid?
The InChIKey is MYCXVCIWQRXWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)8-6(3)4-7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10).
What are the key properties of 3-(propan-2-ylamino)butanoic acid?
3-(propan-2-ylamino)butanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 23346829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).