2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid

C15H30N4O10 — CID 174439322

IUPAC2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC(CC(=O)O)C(=O)O.NCCCCC(NO)C(=O)O.O=C(O)C1CC(O)CN1
InChIInChI=1S/C6H14N2O3.C5H9NO3.C4H7NO4/c7-4-2-1-3-5(8-11)6(9)10;7-3-1-4(5(8)9)6-2-3;5-2(4(8)9)1-3(6)7/h5,8,11H,1-4,7H2,(H,9,10);3-4,6-7H,1-2H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)
InChIKeyVUPPEQMPTNXIPN-UHFFFAOYSA-N
MW426.42 g/mol
LogP-2.79
Rot. Bonds10

About 2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid

2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 174439322) has the molecular formula C15H30N4O10 and a molecular weight of 426.42 g/mol. Its IUPAC name is 2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID174439322
Molecular FormulaC15H30N4O10
Molecular Weight426.42 g/mol
Exact Mass426.20
IUPAC Name2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC(CC(=O)O)C(=O)O.NCCCCC(NO)C(=O)O.O=C(O)C1CC(O)CN1
InChIInChI=1S/C6H14N2O3.C5H9NO3.C4H7NO4/c7-4-2-1-3-5(8-11)6(9)10;7-3-1-4(5(8)9)6-2-3;5-2(4(8)9)1-3(6)7/h5,8,11H,1-4,7H2,(H,9,10);3-4,6-7H,1-2H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)
InChIKeyVUPPEQMPTNXIPN-UHFFFAOYSA-N
XLogP-2.79
TPSA265.76 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.42
LogP ≤ 5-2.79
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic 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

2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 174815997
2-[[(2S)-6-amino-2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetic acid
CID 175696816
2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 175565285
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 67068644
(2R)-2-aminobutanedioic acid;(2R)-2,6-diaminohexanoic acid
CID 133109130
2-aminobutanedioic acid;bis(2,6-diaminohexanoic acid)
CID 138592337
(2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 159230149
(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid
CID 118384370
(2S)-6-amino-2-(deuteriooxyamino)hexanoic acid
CID 141398106
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydroxysilane
CID 131716757

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid (CID 174439322) is 2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid is NC(CC(=O)O)C(=O)O.NCCCCC(NO)C(=O)O.O=C(O)C1CC(O)CN1.
What is the InChIKey of 2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is VUPPEQMPTNXIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3.C5H9NO3.C4H7NO4/c7-4-2-1-3-5(8-11)6(9)10;7-3-1-4(5(8)9)6-2-3;5-2(4(8)9)1-3(6)7/h5,8,11H,1-4,7H2,(H,9,10);3-4,6-7H,1-2H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9).
What are the key properties of 2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid?
2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 426.42 g/mol, XLogP of -2.79, 10 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174439322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).