2-amino-4-(propan-2-ylamino)butanoic acid

C7H16N2O2 — CID 18343480

IUPAC2-amino-4-(propan-2-ylamino)butanoic acid
SMILESCC(C)NCCC(N)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(2)9-4-3-6(8)7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyWWFFPIGYNNBXCI-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.21
Rot. Bonds5

About 2-amino-4-(propan-2-ylamino)butanoic acid

2-amino-4-(propan-2-ylamino)butanoic acid (PubChem CID 18343480) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-amino-4-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(propan-2-ylamino)butanoic acid
PubChem CID18343480
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-amino-4-(propan-2-ylamino)butanoic acid
SMILESCC(C)NCCC(N)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(2)9-4-3-6(8)7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyWWFFPIGYNNBXCI-UHFFFAOYSA-N
XLogP-0.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(propan-2-ylamino)butanoic acid?
The IUPAC name of 2-amino-4-(propan-2-ylamino)butanoic acid (CID 18343480) is 2-amino-4-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(propan-2-ylamino)butanoic acid is CC(C)NCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(propan-2-ylamino)butanoic acid?
The InChIKey is WWFFPIGYNNBXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(2)9-4-3-6(8)7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-4-(propan-2-ylamino)butanoic acid?
2-amino-4-(propan-2-ylamino)butanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 18343480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).