(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid

C13H19N3O3 — CID 91436913

IUPAC(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
SMILESNC(CC[C@@H](N)C(=O)O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H19N3O3/c14-10(6-7-11(15)13(18)19)12(17)16-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,14-15H2,(H,16,17)(H,18,19)/t10?,11-/m1/s1
InChIKeyUVIFTCWUBDQUAL-RRKGBCIJSA-N
MW265.31 g/mol
LogP-0.18
Rot. Bonds7

About (2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid

(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid (PubChem CID 91436913) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
PubChem CID91436913
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
SMILESNC(CC[C@@H](N)C(=O)O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H19N3O3/c14-10(6-7-11(15)13(18)19)12(17)16-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,14-15H2,(H,16,17)(H,18,19)/t10?,11-/m1/s1
InChIKeyUVIFTCWUBDQUAL-RRKGBCIJSA-N
XLogP-0.18
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic 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

4-amino-5-(benzylamino)-5-oxopentanoic acid
CID 64895002
2-amino-N-benzylpentanamide
CID 11020044
(2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid
CID 11381255
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
(2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide
CID 66638181
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
CID 130520932
tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate
CID 67334815
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
2-amino-N-benzyl-3-(difluoromethoxy)propanamide
CID 23649017

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid?
The IUPAC name of (2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid (CID 91436913) is (2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid.
What is the SMILES notation for (2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid?
The canonical SMILES for (2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid is NC(CC[C@@H](N)C(=O)O)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid?
The InChIKey is UVIFTCWUBDQUAL-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-10(6-7-11(15)13(18)19)12(17)16-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,14-15H2,(H,16,17)(H,18,19)/t10?,11-/m1/s1.
What are the key properties of (2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid?
(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid has a molecular weight of 265.31 g/mol, XLogP of -0.18, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid is sourced from PubChem (CID 91436913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).