4-amino-2-(aminomethyl)butanoic acid

C5H12N2O2 — CID 10582817

IUPAC4-amino-2-(aminomethyl)butanoic acid
SMILESNCCC(CN)C(=O)O
InChIInChI=1S/C5H12N2O2/c6-2-1-4(3-7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
InChIKeyXRMQYXDCNPZCJH-UHFFFAOYSA-N
MW132.16 g/mol
LogP-1.01
Rot. Bonds4

About 4-amino-2-(aminomethyl)butanoic acid

4-amino-2-(aminomethyl)butanoic acid (PubChem CID 10582817) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 4-amino-2-(aminomethyl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(aminomethyl)butanoic acid
PubChem CID10582817
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name4-amino-2-(aminomethyl)butanoic acid
SMILESNCCC(CN)C(=O)O
InChIInChI=1S/C5H12N2O2/c6-2-1-4(3-7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
InChIKeyXRMQYXDCNPZCJH-UHFFFAOYSA-N
XLogP-1.01
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
4-Amino-3-methylbutanoic acid
CID 3539719
4-Amino-2-methylbutanoic acid
CID 3759025
(R)-2-(Aminomethyl)-3-methylbutanoic acid
CID 11018900
4-Amino(~2~H_6_)butanoic acid
CID 12405755
2-(Aminomethyl)butanoic acid hydrochloride
CID 50988199
4-Amino(2,2-~2~H_2_)butanoic acid
CID 57685050
4-(~15~N)Aminobutanoic acid
CID 71310334
Butanoic acid, 4-amino-2-methyl-, (2S)-
CID 928193
(R)-4-amino-2-methylbutanoic acid
CID 928194
Butanoic acid, 4-amino-3-methyl-, (R)-
CID 6604938
4-Amino-2-aminomethyl-3-methyl-butyric acid
CID 10080534

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(aminomethyl)butanoic acid?
The IUPAC name of 4-amino-2-(aminomethyl)butanoic acid (CID 10582817) is 4-amino-2-(aminomethyl)butanoic acid.
What is the SMILES notation for 4-amino-2-(aminomethyl)butanoic acid?
The canonical SMILES for 4-amino-2-(aminomethyl)butanoic acid is NCCC(CN)C(=O)O.
What is the InChIKey of 4-amino-2-(aminomethyl)butanoic acid?
The InChIKey is XRMQYXDCNPZCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-2-1-4(3-7)5(8)9/h4H,1-3,6-7H2,(H,8,9).
What are the key properties of 4-amino-2-(aminomethyl)butanoic acid?
4-amino-2-(aminomethyl)butanoic acid has a molecular weight of 132.16 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(aminomethyl)butanoic acid is sourced from PubChem (CID 10582817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).