(2S)-2,4-diamino-4-oxobutanoic acid

C4H8N2O3 — CID 6267

💊View drug profile → asparagine
IUPAC(2S)-2,4-diamino-4-oxobutanoic acid
SMILESNC(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-N
MW132.12 g/mol
LogP-1.73
Rot. Bonds3

About (2S)-2,4-diamino-4-oxobutanoic acid

(2S)-2,4-diamino-4-oxobutanoic acid (PubChem CID 6267) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is (2S)-2,4-diamino-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2,4-diamino-4-oxobutanoic acid
PubChem CID6267
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name(2S)-2,4-diamino-4-oxobutanoic acid
SMILESNC(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-N
XLogP-1.73
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
D-Asparagine
CID 439600
DL-Asparagine
CID 236
(2S)-4-amino-2-ammonio-4-oxobutanoate
CID 6992089
Hydroxylated lecithin
CID 97663
L-Asparagine, monohydrate
CID 170358
CID 5247114
CID 5247114
CID 6991971
CID 6991971
Isoasparagine
CID 7015702
D-Asparagine hydrate
CID 16211197
3,4-Diamino-4-oxobutanoic acid
CID 352913

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-diamino-4-oxobutanoic acid?
The IUPAC name of (2S)-2,4-diamino-4-oxobutanoic acid (CID 6267) is (2S)-2,4-diamino-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2,4-diamino-4-oxobutanoic acid?
The canonical SMILES for (2S)-2,4-diamino-4-oxobutanoic acid is NC(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,4-diamino-4-oxobutanoic acid?
The InChIKey is DCXYFEDJOCDNAF-REOHCLBHSA-N. The full InChI is InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1.
What are the key properties of (2S)-2,4-diamino-4-oxobutanoic acid?
(2S)-2,4-diamino-4-oxobutanoic acid has a molecular weight of 132.12 g/mol, XLogP of -1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-diamino-4-oxobutanoic acid is sourced from PubChem (CID 6267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).