(2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate

C5H10N2O3 — CID 86308213

IUPAC(2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate
SMILESCNC(=O)C[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyCFRMVEKWKKDNAH-GSVOUGTGSA-N
MW146.15 g/mol
LogP-3.52
Rot. Bonds3

About (2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate

(2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate (PubChem CID 86308213) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate
PubChem CID86308213
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate
SMILESCNC(=O)C[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyCFRMVEKWKKDNAH-GSVOUGTGSA-N
XLogP-3.52
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-3.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-anilino-2-azaniumyl-4-oxobutanoate
CID 7060602
(2S)-2-azaniumyl-4-chloropent-4-enoate
CID 25202061
(2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate
CID 9208986
(2S)-2-azaniumyl-4-(4-nitroanilino)-4-oxobutanoate
CID 7408380
(2S)-2-azaniumyl-3-chloropropanoate
CID 5287866
2-azaniumyl-3-sulfanylpropanoate
CID 5260155
(2R)-2-ammonio-3-selanylpropanoate
CID 25245418
(2R)-2-azaniumyl-3-[[(2R)-2-azaniumyl-2-carboxylatoethyl]disulfanyl]propanoate
CID 6992103
2-azaniumyl-3-[(2-azaniumyl-2-carboxylatoethyl)disulfanyl]propanoate
CID 24798687
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
(2S,4S)-2-azaniumyl-4-methylpentanedioate
CID 6971090
(2S)-2-azaniumyl-5-methoxy-5-oxopentanoate
CID 6998933

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate?
The IUPAC name of (2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate (CID 86308213) is (2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate.
What is the SMILES notation for (2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate?
The canonical SMILES for (2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate is CNC(=O)C[C@@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate?
The InChIKey is CFRMVEKWKKDNAH-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate?
(2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate has a molecular weight of 146.15 g/mol, XLogP of -3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate is sourced from PubChem (CID 86308213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).