(2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid

C15H22N2O4 — CID 162974941

IUPAC(2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid
SMILESCN(C(=O)OCc1ccccc1)[C@H](CCCCN)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-17(13(14(18)19)9-5-6-10-16)15(20)21-11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,16H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyCXVINIOTAUQSJG-CYBMUJFWSA-N
MW294.35 g/mol
LogP1.84
Rot. Bonds8

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

(2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid (PubChem CID 162974941) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid
PubChem CID162974941
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid
SMILESCN(C(=O)OCc1ccccc1)[C@H](CCCCN)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-17(13(14(18)19)9-5-6-10-16)15(20)21-11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,16H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyCXVINIOTAUQSJG-CYBMUJFWSA-N
XLogP1.84
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid?
The IUPAC name of (2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid (CID 162974941) is (2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid.
What is the SMILES notation for (2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid?
The canonical SMILES for (2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid is CN(C(=O)OCc1ccccc1)[C@H](CCCCN)C(=O)O.
What is the InChIKey of (2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid?
The InChIKey is CXVINIOTAUQSJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17(13(14(18)19)9-5-6-10-16)15(20)21-11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,16H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid?
(2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid is sourced from PubChem (CID 162974941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).