2-(propan-2-ylamino)propanoic acid

C6H13NO2 — CID 13250769

IUPAC2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(C)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4(2)7-5(3)6(8)9/h4-5,7H,1-3H3,(H,8,9)
InChIKeyLABFFVKLPSJCAN-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.46
Rot. Bonds3

About 2-(propan-2-ylamino)propanoic acid

2-(propan-2-ylamino)propanoic acid (PubChem CID 13250769) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(propan-2-ylamino)propanoic acid
PubChem CID13250769
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(C)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4(2)7-5(3)6(8)9/h4-5,7H,1-3H3,(H,8,9)
InChIKeyLABFFVKLPSJCAN-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 2-(propan-2-ylamino)propanoic acid (CID 13250769) is 2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 2-(propan-2-ylamino)propanoic acid is CC(C)NC(C)C(=O)O.
What is the InChIKey of 2-(propan-2-ylamino)propanoic acid?
The InChIKey is LABFFVKLPSJCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(2)7-5(3)6(8)9/h4-5,7H,1-3H3,(H,8,9).
What are the key properties of 2-(propan-2-ylamino)propanoic acid?
2-(propan-2-ylamino)propanoic acid has a molecular weight of 131.17 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 13250769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).