(2S)-2-amino-3-nitrosopropanoic acid

C3H6N2O3 — CID 150110998

IUPAC(2S)-2-amino-3-nitrosopropanoic acid
SMILESN[C@@H](CN=O)C(=O)O
InChIInChI=1S/C3H6N2O3/c4-2(1-5-8)3(6)7/h2H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyDXGBVKUWBJGKML-REOHCLBHSA-N
MW118.09 g/mol
LogP-0.84
Rot. Bonds3

About (2S)-2-amino-3-nitrosopropanoic acid

(2S)-2-amino-3-nitrosopropanoic acid (PubChem CID 150110998) has the molecular formula C3H6N2O3 and a molecular weight of 118.09 g/mol. Its IUPAC name is (2S)-2-amino-3-nitrosopropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-nitrosopropanoic acid
PubChem CID150110998
Molecular FormulaC3H6N2O3
Molecular Weight118.09 g/mol
Exact Mass118.04
IUPAC Name(2S)-2-amino-3-nitrosopropanoic acid
SMILESN[C@@H](CN=O)C(=O)O
InChIInChI=1S/C3H6N2O3/c4-2(1-5-8)3(6)7/h2H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyDXGBVKUWBJGKML-REOHCLBHSA-N
XLogP-0.84
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-nitrosopropanoic acid?
The IUPAC name of (2S)-2-amino-3-nitrosopropanoic acid (CID 150110998) is (2S)-2-amino-3-nitrosopropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-nitrosopropanoic acid?
The canonical SMILES for (2S)-2-amino-3-nitrosopropanoic acid is N[C@@H](CN=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-nitrosopropanoic acid?
The InChIKey is DXGBVKUWBJGKML-REOHCLBHSA-N. The full InChI is InChI=1S/C3H6N2O3/c4-2(1-5-8)3(6)7/h2H,1,4H2,(H,6,7)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-3-nitrosopropanoic acid?
(2S)-2-amino-3-nitrosopropanoic acid has a molecular weight of 118.09 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-nitrosopropanoic acid is sourced from PubChem (CID 150110998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).