(2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid

C14H20N2O5 — CID 87949671

IUPAC(2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid
SMILESNCCCC[C@@H](NOC(C(=O)O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O5/c15-9-5-4-8-11(13(17)18)16-21-12(14(19)20)10-6-2-1-3-7-10/h1-3,6-7,11-12,16H,4-5,8-9,15H2,(H,17,18)(H,19,20)/t11-,12?/m1/s1
InChIKeyVCIIIXFBPJDJAH-JHJMLUEUSA-N
MW296.32 g/mol
LogP0.92
Rot. Bonds10

About (2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid

(2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid (PubChem CID 87949671) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid.

Molecular Properties

Compound Name(2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid
PubChem CID87949671
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid
SMILESNCCCC[C@@H](NOC(C(=O)O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O5/c15-9-5-4-8-11(13(17)18)16-21-12(14(19)20)10-6-2-1-3-7-10/h1-3,6-7,11-12,16H,4-5,8-9,15H2,(H,17,18)(H,19,20)/t11-,12?/m1/s1
InChIKeyVCIIIXFBPJDJAH-JHJMLUEUSA-N
XLogP0.92
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-amino-2-(phenoxyamino)hexanoic acid
CID 20593385
(2S)-6-amino-2-[(2-phenyl-2-sulfoethyl)amino]hexanoic acid
CID 88669062
(2S)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoic acid
CID 71314526
6-amino-2-[(2-hydroxyphenyl)methylamino]hexanoic acid
CID 85204947
2-[(5-amino-1-carboxypentyl)carbamoyl]benzoic acid
CID 10469684
2,6-diaminohexanoic acid;diphenylmethanamine
CID 78006894
(5-amino-1-phenylpentyl)carbamic acid
CID 121416369
6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid
CID 154945512
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-6-amino-2-[(2-benzamidoacetyl)amino]hexanoic acid
CID 7010495
acetyl chloride;6-amino-2-(benzylamino)hexanoic acid
CID 174530282
(2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid
CID 7015183

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid?
The IUPAC name of (2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid (CID 87949671) is (2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid.
What is the SMILES notation for (2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid?
The canonical SMILES for (2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid is NCCCC[C@@H](NOC(C(=O)O)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid?
The InChIKey is VCIIIXFBPJDJAH-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H20N2O5/c15-9-5-4-8-11(13(17)18)16-21-12(14(19)20)10-6-2-1-3-7-10/h1-3,6-7,11-12,16H,4-5,8-9,15H2,(H,17,18)(H,19,20)/t11-,12?/m1/s1.
What are the key properties of (2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid?
(2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid has a molecular weight of 296.32 g/mol, XLogP of 0.92, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-[[carboxy(phenyl)methoxy]amino]hexanoic acid is sourced from PubChem (CID 87949671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).