(2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid

C20H22N2O4 — CID 22873096

IUPAC(2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid
SMILESNCCCC[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C20H22N2O4/c21-13-7-6-12-17(20(25)26)22-19(24)16-11-5-4-10-15(16)18(23)14-8-2-1-3-9-14/h1-5,8-11,17H,6-7,12-13,21H2,(H,22,24)(H,25,26)/t17-/m1/s1
InChIKeyIPDWTTOKODGFHM-QGZVFWFLSA-N
MW354.41 g/mol
LogP2.23
Rot. Bonds9

About (2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid

(2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid (PubChem CID 22873096) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid
PubChem CID22873096
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid
SMILESNCCCC[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C20H22N2O4/c21-13-7-6-12-17(20(25)26)22-19(24)16-11-5-4-10-15(16)18(23)14-8-2-1-3-9-14/h1-5,8-11,17H,6-7,12-13,21H2,(H,22,24)(H,25,26)/t17-/m1/s1
InChIKeyIPDWTTOKODGFHM-QGZVFWFLSA-N
XLogP2.23
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-1-carboxypentyl)carbamoyl]benzoic acid
CID 10469684
(2S)-6-amino-2-[(2-benzamidoacetyl)amino]hexanoic acid
CID 7010495
tert-butyl N-[(2S)-6-amino-1-(2-benzoylphenyl)-1-oxohexan-2-yl]carbamate
CID 162773275
N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide
CID 20646768
(2S)-2-[(2-aminobenzoyl)amino]-6-(methylamino)hexanoic acid
CID 57078416
(2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid
CID 7015183
(2S)-6-amino-2-[(4-methoxybenzoyl)amino]hexanoic acid
CID 54464551
(2S)-6-amino-2-[(4-sulfamoylbenzoyl)amino]hexanoic acid
CID 175082787
(2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid
CID 67015249
6-amino-2-[(4-fluorosulfonylbenzoyl)amino]hexanoic acid
CID 91387836
(2S)-5-amino-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 22838808
(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid
CID 57295960

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid?
The IUPAC name of (2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid (CID 22873096) is (2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid.
What is the SMILES notation for (2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid?
The canonical SMILES for (2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid is NCCCC[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid?
The InChIKey is IPDWTTOKODGFHM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O4/c21-13-7-6-12-17(20(25)26)22-19(24)16-11-5-4-10-15(16)18(23)14-8-2-1-3-9-14/h1-5,8-11,17H,6-7,12-13,21H2,(H,22,24)(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid?
(2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid has a molecular weight of 354.41 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid is sourced from PubChem (CID 22873096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).