(3R)-3-aminobutanoic acid

C8H18N2O4 — CID 135564811

IUPAC(3R)-3-aminobutanoic acid
SMILESC[C@@H](N)CC(=O)O.C[C@@H](N)CC(=O)O
InChIInChI=1S/2C4H9NO2/c2*1-3(5)2-4(6)7/h2*3H,2,5H2,1H3,(H,6,7)/t2*3-/m11/s1
InChIKeyJXJNHQGKQPOMGW-NRYLJRBGSA-N
MW206.24 g/mol
LogP-0.38
Rot. Bonds4

About (3R)-3-aminobutanoic acid

(3R)-3-aminobutanoic acid (PubChem CID 135564811) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is (3R)-3-aminobutanoic acid.

Molecular Properties

Compound Name(3R)-3-aminobutanoic acid
PubChem CID135564811
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name(3R)-3-aminobutanoic acid
SMILESC[C@@H](N)CC(=O)O.C[C@@H](N)CC(=O)O
InChIInChI=1S/2C4H9NO2/c2*1-3(5)2-4(6)7/h2*3H,2,5H2,1H3,(H,6,7)/t2*3-/m11/s1
InChIKeyJXJNHQGKQPOMGW-NRYLJRBGSA-N
XLogP-0.38
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-aminobutanoic acid?
The IUPAC name of (3R)-3-aminobutanoic acid (CID 135564811) is (3R)-3-aminobutanoic acid.
What is the SMILES notation for (3R)-3-aminobutanoic acid?
The canonical SMILES for (3R)-3-aminobutanoic acid is C[C@@H](N)CC(=O)O.C[C@@H](N)CC(=O)O.
What is the InChIKey of (3R)-3-aminobutanoic acid?
The InChIKey is JXJNHQGKQPOMGW-NRYLJRBGSA-N. The full InChI is InChI=1S/2C4H9NO2/c2*1-3(5)2-4(6)7/h2*3H,2,5H2,1H3,(H,6,7)/t2*3-/m11/s1.
What are the key properties of (3R)-3-aminobutanoic acid?
(3R)-3-aminobutanoic acid has a molecular weight of 206.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-aminobutanoic acid is sourced from PubChem (CID 135564811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).