(2S)-2-aminopropanoic acid

C9H21N3O6 — CID 22090376

IUPAC(2S)-2-aminopropanoic acid
SMILESC[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/3C3H7NO2/c3*1-2(4)3(5)6/h3*2H,4H2,1H3,(H,5,6)/t3*2-/m000/s1
InChIKeyOIVLAHIGCIOQSD-NYIJDJKZSA-N
MW267.28 g/mol
LogP-1.75
Rot. Bonds3

About (2S)-2-aminopropanoic acid

(2S)-2-aminopropanoic acid (PubChem CID 22090376) has the molecular formula C9H21N3O6 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid
PubChem CID22090376
Molecular FormulaC9H21N3O6
Molecular Weight267.28 g/mol
Exact Mass267.14
IUPAC Name(2S)-2-aminopropanoic acid
SMILESC[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/3C3H7NO2/c3*1-2(4)3(5)6/h3*2H,4H2,1H3,(H,5,6)/t3*2-/m000/s1
InChIKeyOIVLAHIGCIOQSD-NYIJDJKZSA-N
XLogP-1.75
TPSA189.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid?
The IUPAC name of (2S)-2-aminopropanoic acid (CID 22090376) is (2S)-2-aminopropanoic acid.
What is the SMILES notation for (2S)-2-aminopropanoic acid?
The canonical SMILES for (2S)-2-aminopropanoic acid is C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid?
The InChIKey is OIVLAHIGCIOQSD-NYIJDJKZSA-N. The full InChI is InChI=1S/3C3H7NO2/c3*1-2(4)3(5)6/h3*2H,4H2,1H3,(H,5,6)/t3*2-/m000/s1.
What are the key properties of (2S)-2-aminopropanoic acid?
(2S)-2-aminopropanoic acid has a molecular weight of 267.28 g/mol, XLogP of -1.75, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid is sourced from PubChem (CID 22090376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).