(2R)-2,4-diamino-4-oxobutanoate

C4H7N2O3- — CID 5460878

IUPAC(2R)-2,4-diamino-4-oxobutanoate
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)/p-1/t2-/m1/s1
InChIKeyDCXYFEDJOCDNAF-UWTATZPHSA-M
MW131.11 g/mol
LogP-3.06
Rot. Bonds3

About (2R)-2,4-diamino-4-oxobutanoate

(2R)-2,4-diamino-4-oxobutanoate (PubChem CID 5460878) has the molecular formula C4H7N2O3- and a molecular weight of 131.11 g/mol. Its IUPAC name is (2R)-2,4-diamino-4-oxobutanoate.

Molecular Properties

Compound Name(2R)-2,4-diamino-4-oxobutanoate
PubChem CID5460878
Molecular FormulaC4H7N2O3-
Molecular Weight131.11 g/mol
Exact Mass131.05
IUPAC Name(2R)-2,4-diamino-4-oxobutanoate
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)/p-1/t2-/m1/s1
InChIKeyDCXYFEDJOCDNAF-UWTATZPHSA-M
XLogP-3.06
TPSA109.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-3.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminobutanedioate
CID 4519554
(2S)-2,4-diamino-4-oxobutanoate;tetrabutylazanium
CID 155818037
CID 21127296
CID 21127296
(2S)-2-aminobutanedioate;silver
CID 87272123
dicesium;(2S)-2-aminobutanedioate
CID 11639845
disodium;2-aminobutanedioate
CID 172873588
tris(2-aminobutanedioate);bis(vanadium)
CID 173191601
tris(2-aminobutanedioate);bis(iron(3+))
CID 74401448
magnesium;2-aminobutanedioate;hydrochloride
CID 13372672
magnesium;bis(2-aminobutanedioate);hydron
CID 78170001
magnesium;dipotassium;bis((2S)-2-aminobutanedioate)
CID 12049086
(2S)-2-aminobutanedioate;manganese(2+);hydrochloride
CID 88636151

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diamino-4-oxobutanoate?
The IUPAC name of (2R)-2,4-diamino-4-oxobutanoate (CID 5460878) is (2R)-2,4-diamino-4-oxobutanoate.
What is the SMILES notation for (2R)-2,4-diamino-4-oxobutanoate?
The canonical SMILES for (2R)-2,4-diamino-4-oxobutanoate is NC(=O)C[C@@H](N)C(=O)[O-].
What is the InChIKey of (2R)-2,4-diamino-4-oxobutanoate?
The InChIKey is DCXYFEDJOCDNAF-UWTATZPHSA-M. 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)/p-1/t2-/m1/s1.
What are the key properties of (2R)-2,4-diamino-4-oxobutanoate?
(2R)-2,4-diamino-4-oxobutanoate has a molecular weight of 131.11 g/mol, XLogP of -3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diamino-4-oxobutanoate is sourced from PubChem (CID 5460878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).