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

C20H22N2O4 — CID 67015249

IUPAC(2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid
SMILESN[C@H](CCCCNC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C20H22N2O4/c21-17(20(25)26)12-6-7-13-22-19(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
InChIKeyIPAXTEGPHRHPFF-QGZVFWFLSA-N
MW354.41 g/mol
LogP2.23
Rot. Bonds9

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

(2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid (PubChem CID 67015249) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid
PubChem CID67015249
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid
SMILESN[C@H](CCCCNC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C20H22N2O4/c21-17(20(25)26)12-6-7-13-22-19(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
InChIKeyIPAXTEGPHRHPFF-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

(2S)-2-amino-6-[(2-fluorosulfonyloxybenzoyl)amino]hexanoic acid
CID 170341158
6-[(3-acetylbenzoyl)amino]-2-aminohexanoic acid
CID 76799570
2-benzoyl-N-(3-methoxypropyl)benzamide
CID 11841231
(2S)-2-amino-6-[(4-aminobenzoyl)amino]hexanoic acid
CID 70353770
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
methyl 4-[(2-benzoylbenzoyl)amino]butanoate
CID 33234645
(2S)-2-amino-6-[(4-ethenylbenzoyl)amino]hexanoic acid
CID 102361708
(2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid
CID 22873096
2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
bis(2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid);copper
CID 10579765
(2S)-2-amino-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 23561663

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid?
The IUPAC name of (2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid (CID 67015249) is (2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid.
What is the SMILES notation for (2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid?
The canonical SMILES for (2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid is N[C@H](CCCCNC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid?
The InChIKey is IPAXTEGPHRHPFF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O4/c21-17(20(25)26)12-6-7-13-22-19(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)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid?
(2R)-2-amino-6-[(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)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid is sourced from PubChem (CID 67015249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).