(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid

C15H21NO4 — CID 11185069

IUPAC(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
SMILESCCCC[C@H](CN(C=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-2-3-9-14(15(18)19)10-16(12-17)20-11-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyLJTYNLPHQVDDKN-CQSZACIVSA-N
MW279.34 g/mol
LogP2.47
Rot. Bonds10

About (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid

(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid (PubChem CID 11185069) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
PubChem CID11185069
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
SMILESCCCC[C@H](CN(C=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-2-3-9-14(15(18)19)10-16(12-17)20-11-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyLJTYNLPHQVDDKN-CQSZACIVSA-N
XLogP2.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 44374994
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CID 44374995
CID 44374995
CID 44825447
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CID 44374736
CID 44374736
CID 44374737
CID 44374737
CID 44374996
CID 44374996
CID 71332208
CID 71332208
CID 11506901
CID 11506901
CID 11694494
CID 11694494
CID 12080632
CID 12080632
CID 15408093
CID 15408093
CID 15408095
CID 15408095

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid?
The IUPAC name of (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid (CID 11185069) is (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid.
What is the SMILES notation for (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid?
The canonical SMILES for (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid is CCCC[C@H](CN(C=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid?
The InChIKey is LJTYNLPHQVDDKN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-3-9-14(15(18)19)10-16(12-17)20-11-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid?
(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid is sourced from PubChem (CID 11185069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).