[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate

C14H17NO3 — CID 30313916

IUPAC[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C14H17NO3/c1-10(16)18-9-13(17)15-14(12-7-8-12)11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3,(H,15,17)/t14-/m1/s1
InChIKeyBPVGHDZYTGUQET-CQSZACIVSA-N
MW247.29 g/mol
LogP1.82
Rot. Bonds5

About [2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate

[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate (PubChem CID 30313916) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
PubChem CID30313916
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C14H17NO3/c1-10(16)18-9-13(17)15-14(12-7-8-12)11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3,(H,15,17)/t14-/m1/s1
InChIKeyBPVGHDZYTGUQET-CQSZACIVSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55942285
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 55525250
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55541254
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 55523607
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55525266
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride
CID 119698485
N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 110891903
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate
CID 55523885
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020

Frequently Asked Questions

What is the IUPAC name of [2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate (CID 30313916) is [2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate is CC(=O)OCC(=O)N[C@H](c1ccccc1)C1CC1.
What is the InChIKey of [2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate?
The InChIKey is BPVGHDZYTGUQET-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(16)18-9-13(17)15-14(12-7-8-12)11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3,(H,15,17)/t14-/m1/s1.
What are the key properties of [2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate?
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate has a molecular weight of 247.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate is sourced from PubChem (CID 30313916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).