(2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid

C6H10N2O5 — CID 175100388

IUPAC(2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid
SMILESCN(C(=O)O)[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C6H10N2O5/c1-8(6(12)13)3(5(10)11)2-4(7)9/h3H,2H2,1H3,(H2,7,9)(H,10,11)(H,12,13)/t3-/m0/s1
InChIKeyGEVYBUGFYZBAEF-VKHMYHEASA-N
MW190.15 g/mol
LogP-1.08
Rot. Bonds4

About (2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid

(2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid (PubChem CID 175100388) has the molecular formula C6H10N2O5 and a molecular weight of 190.15 g/mol. Its IUPAC name is (2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid
PubChem CID175100388
Molecular FormulaC6H10N2O5
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name(2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid
SMILESCN(C(=O)O)[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C6H10N2O5/c1-8(6(12)13)3(5(10)11)2-4(7)9/h3H,2H2,1H3,(H2,7,9)(H,10,11)(H,12,13)/t3-/m0/s1
InChIKeyGEVYBUGFYZBAEF-VKHMYHEASA-N
XLogP-1.08
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(dichloroamino)-4-oxobutanoic acid
CID 87518642
4-amino-2-(N-methylanilino)-4-oxobutanoic acid
CID 175035454
(2S)-4-amino-2-[bromo(propanoyl)amino]-4-oxobutanoic acid
CID 88680879
(2S)-4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 122173727
(2S)-N,N,2-trimethylbutanediamide
CID 89208905
(2S)-4-amino-2-[di(octadecanoyl)amino]-4-oxobutanoic acid
CID 141234039
3-amino-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 167720958
(2S)-4-amino-2-[benzyl(methyl)amino]-4-oxobutanoic acid;dimethyl benzene-1,2-dicarboxylate
CID 160597698
(3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide
CID 176616493
2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid
CID 87306158
2-[ethyl(hydroxy)amino]butanediamide
CID 87074702
(2R)-4-amino-2-[[2-[[[(1S)-3-amino-1-carboxy-3-oxopropyl]-(4-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-4-oxobutanoic acid
CID 154653225

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid (CID 175100388) is (2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid is CN(C(=O)O)[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid?
The InChIKey is GEVYBUGFYZBAEF-VKHMYHEASA-N. The full InChI is InChI=1S/C6H10N2O5/c1-8(6(12)13)3(5(10)11)2-4(7)9/h3H,2H2,1H3,(H2,7,9)(H,10,11)(H,12,13)/t3-/m0/s1.
What are the key properties of (2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid has a molecular weight of 190.15 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 175100388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).