3-amino-2-(aminomethyl)butanoic acid

C5H12N2O2 — CID 87574083

IUPAC3-amino-2-(aminomethyl)butanoic acid
SMILESCC(N)C(CN)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-3(7)4(2-6)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9)
InChIKeyAVIPHFFIERHRGW-UHFFFAOYSA-N
MW132.16 g/mol
LogP-1.01
Rot. Bonds3

About 3-amino-2-(aminomethyl)butanoic acid

3-amino-2-(aminomethyl)butanoic acid (PubChem CID 87574083) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-amino-2-(aminomethyl)butanoic acid.

Molecular Properties

Compound Name3-amino-2-(aminomethyl)butanoic acid
PubChem CID87574083
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name3-amino-2-(aminomethyl)butanoic acid
SMILESCC(N)C(CN)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-3(7)4(2-6)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9)
InChIKeyAVIPHFFIERHRGW-UHFFFAOYSA-N
XLogP-1.01
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

(2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid
CID 175262598
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
CID 10866451
2-(aminomethyl)-4-ethyl-3-methylhexanoic acid
CID 87761013
2-(aminomethyl)-3-ethyl-4-methylhexanoic acid
CID 87760258
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2S)-2-aminopropanoic acid;polane
CID 173022618
4-aminobutane-1,2,3-tricarboxylic acid
CID 88712271

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(aminomethyl)butanoic acid?
The IUPAC name of 3-amino-2-(aminomethyl)butanoic acid (CID 87574083) is 3-amino-2-(aminomethyl)butanoic acid.
What is the SMILES notation for 3-amino-2-(aminomethyl)butanoic acid?
The canonical SMILES for 3-amino-2-(aminomethyl)butanoic acid is CC(N)C(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(aminomethyl)butanoic acid?
The InChIKey is AVIPHFFIERHRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-3(7)4(2-6)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9).
What are the key properties of 3-amino-2-(aminomethyl)butanoic acid?
3-amino-2-(aminomethyl)butanoic acid has a molecular weight of 132.16 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(aminomethyl)butanoic acid is sourced from PubChem (CID 87574083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).