2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid

C10H20N4O6 — CID 87491412

IUPAC2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
SMILESCNC(=O)CC(N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/2C5H10N2O3/c1-7-4(8)2-3(6)5(9)10;6-3(5(9)10)1-2-4(7)8/h3H,2,6H2,1H3,(H,7,8)(H,9,10);3H,1-2,6H2,(H2,7,8)(H,9,10)/t;3-/m.0/s1
InChIKeyJDOKHWWGVNCJQS-HVDRVSQOSA-N
MW292.29 g/mol
LogP-2.80
Rot. Bonds7

About 2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid

2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid (PubChem CID 87491412) has the molecular formula C10H20N4O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
PubChem CID87491412
Molecular FormulaC10H20N4O6
Molecular Weight292.29 g/mol
Exact Mass292.14
IUPAC Name2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
SMILESCNC(=O)CC(N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/2C5H10N2O3/c1-7-4(8)2-3(6)5(9)10;6-3(5(9)10)1-2-4(7)8/h3H,2,6H2,1H3,(H,7,8)(H,9,10);3H,1-2,6H2,(H2,7,8)(H,9,10)/t;3-/m.0/s1
InChIKeyJDOKHWWGVNCJQS-HVDRVSQOSA-N
XLogP-2.80
TPSA198.83 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.29
LogP ≤ 5-2.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride
CID 141227673
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid
CID 19775744
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid
CID 159876263
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The IUPAC name of 2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid (CID 87491412) is 2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for 2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid is CNC(=O)CC(N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of 2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The InChIKey is JDOKHWWGVNCJQS-HVDRVSQOSA-N. The full InChI is InChI=1S/2C5H10N2O3/c1-7-4(8)2-3(6)5(9)10;6-3(5(9)10)1-2-4(7)8/h3H,2,6H2,1H3,(H,7,8)(H,9,10);3H,1-2,6H2,(H2,7,8)(H,9,10)/t;3-/m.0/s1.
What are the key properties of 2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid has a molecular weight of 292.29 g/mol, XLogP of -2.80, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 87491412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).