benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate

C17H23NO4 — CID 69287668

IUPACbenzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate
SMILESO=C(CN(C(=O)CO)C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C17H23NO4/c19-12-16(20)18(15-9-5-2-6-10-15)11-17(21)22-13-14-7-3-1-4-8-14/h1,3-4,7-8,15,19H,2,5-6,9-13H2
InChIKeyFZBHYTHUYUHHBT-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.88
Rot. Bonds6

About benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate

benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate (PubChem CID 69287668) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate
PubChem CID69287668
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namebenzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate
SMILESO=C(CN(C(=O)CO)C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C17H23NO4/c19-12-16(20)18(15-9-5-2-6-10-15)11-17(21)22-13-14-7-3-1-4-8-14/h1,3-4,7-8,15,19H,2,5-6,9-13H2
InChIKeyFZBHYTHUYUHHBT-UHFFFAOYSA-N
XLogP1.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
benzyl 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-oxoethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoate
CID 10766526
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
benzyl N-cyclohexyl-N-(nitromethyl)carbamate
CID 100967512
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
benzyl (3S)-3-amino-4-[cyclopentyl(prop-2-enyl)amino]-4-oxobutanoate
CID 114274705
benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate
CID 54088548
2-[carboxymethyl-[2-[carboxymethyl-(2-oxo-2-phenylmethoxyethyl)amino]ethyl]amino]acetic acid
CID 22072677
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate
CID 100967511
methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate
CID 80718069

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate?
The IUPAC name of benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate (CID 69287668) is benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate.
What is the SMILES notation for benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate?
The canonical SMILES for benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate is O=C(CN(C(=O)CO)C1CCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate?
The InChIKey is FZBHYTHUYUHHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-12-16(20)18(15-9-5-2-6-10-15)11-17(21)22-13-14-7-3-1-4-8-14/h1,3-4,7-8,15,19H,2,5-6,9-13H2.
What are the key properties of benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate?
benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate has a molecular weight of 305.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate is sourced from PubChem (CID 69287668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).