(2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid

C10H19N3O7 — CID 160578189

IUPAC(2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid
SMILESCN[C@@H](CC(N)=O)C(=O)O.N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H10N2O3.C5H9NO4/c1-7-3(5(9)10)2-4(6)8;6-3(5(9)10)1-2-4(7)8/h3,7H,2H2,1H3,(H2,6,8)(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t2*3-/m01/s1
InChIKeyRBKSAONPRCXAMR-OCZOEHNFSA-N
MW293.28 g/mol
LogP-2.20
Rot. Bonds8

About (2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid

(2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid (PubChem CID 160578189) has the molecular formula C10H19N3O7 and a molecular weight of 293.28 g/mol. Its IUPAC name is (2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid
PubChem CID160578189
Molecular FormulaC10H19N3O7
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC Name(2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid
SMILESCN[C@@H](CC(N)=O)C(=O)O.N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H10N2O3.C5H9NO4/c1-7-3(5(9)10)2-4(6)8;6-3(5(9)10)1-2-4(7)8/h3,7H,2H2,1H3,(H2,6,8)(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t2*3-/m01/s1
InChIKeyRBKSAONPRCXAMR-OCZOEHNFSA-N
XLogP-2.20
TPSA193.04 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.28
LogP ≤ 5-2.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-aminopentanedioic acid;bis((2S)-2,4-diamino-4-oxobutanoic acid)
CID 87695022
(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 22791125
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-[[4-amino-2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid
CID 18263297
2-aminoacetamide;(2S)-2-aminopentanedioic acid
CID 88807329
(4S)-4-amino-5-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 145455285
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid?
The IUPAC name of (2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid (CID 160578189) is (2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid.
What is the SMILES notation for (2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid?
The canonical SMILES for (2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid is CN[C@@H](CC(N)=O)C(=O)O.N[C@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid?
The InChIKey is RBKSAONPRCXAMR-OCZOEHNFSA-N. The full InChI is InChI=1S/C5H10N2O3.C5H9NO4/c1-7-3(5(9)10)2-4(6)8;6-3(5(9)10)1-2-4(7)8/h3,7H,2H2,1H3,(H2,6,8)(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t2*3-/m01/s1.
What are the key properties of (2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid?
(2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid has a molecular weight of 293.28 g/mol, XLogP of -2.20, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-(methylamino)-4-oxobutanoic acid;(2R)-2-aminopentanedioic acid is sourced from PubChem (CID 160578189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).