(2S)-2-amino-3-oxopropanamide

C3H6N2O2 — CID 57026177

IUPAC(2S)-2-amino-3-oxopropanamide
SMILESNC(=O)[C@@H](N)C=O
InChIInChI=1S/C3H6N2O2/c4-2(1-6)3(5)7/h1-2H,4H2,(H2,5,7)/t2-/m0/s1
InChIKeyXGHIBMZOHPEVMK-REOHCLBHSA-N
MW102.09 g/mol
LogP-2.00
Rot. Bonds2

About (2S)-2-amino-3-oxopropanamide

(2S)-2-amino-3-oxopropanamide (PubChem CID 57026177) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is (2S)-2-amino-3-oxopropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-oxopropanamide
PubChem CID57026177
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name(2S)-2-amino-3-oxopropanamide
SMILESNC(=O)[C@@H](N)C=O
InChIInChI=1S/C3H6N2O2/c4-2(1-6)3(5)7/h1-2H,4H2,(H2,5,7)/t2-/m0/s1
InChIKeyXGHIBMZOHPEVMK-REOHCLBHSA-N
XLogP-2.00
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-oxopropanoyl chloride
CID 56978521
2-formyl-3-oxobutanamide
CID 45085336
(2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal
CID 129184948
2-aminopropanamide;dihydrochloride
CID 19963402
2-aminopropanamide;ethane
CID 156828005
formamide;urea
CID 19591694
2-formamidopropanediamide
CID 4202843
(3R)-3-amino-4-oxobutanamide;ethene;methane
CID 158060763
(2S)-2-amino-6-oxohexanamide
CID 54192853
2,2-difluoroacetamide
CID 2782321
2-formyl-N'-hydroxybutanediamide
CID 174449335
N-carbamoylformamide;hydrate
CID 174813959

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-oxopropanamide?
The IUPAC name of (2S)-2-amino-3-oxopropanamide (CID 57026177) is (2S)-2-amino-3-oxopropanamide.
What is the SMILES notation for (2S)-2-amino-3-oxopropanamide?
The canonical SMILES for (2S)-2-amino-3-oxopropanamide is NC(=O)[C@@H](N)C=O.
What is the InChIKey of (2S)-2-amino-3-oxopropanamide?
The InChIKey is XGHIBMZOHPEVMK-REOHCLBHSA-N. The full InChI is InChI=1S/C3H6N2O2/c4-2(1-6)3(5)7/h1-2H,4H2,(H2,5,7)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-3-oxopropanamide?
(2S)-2-amino-3-oxopropanamide has a molecular weight of 102.09 g/mol, XLogP of -2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-oxopropanamide is sourced from PubChem (CID 57026177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).