ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate

C14H17NO4 — CID 54979510

IUPACethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)Oc1ccccc1)C1CC1
InChIInChI=1S/C14H17NO4/c1-2-18-13(16)10-15(11-8-9-11)14(17)19-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyJCFVPYRQNOMELA-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.21
Rot. Bonds5

About ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate

ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate (PubChem CID 54979510) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
PubChem CID54979510
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)Oc1ccccc1)C1CC1
InChIInChI=1S/C14H17NO4/c1-2-18-13(16)10-15(11-8-9-11)14(17)19-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyJCFVPYRQNOMELA-UHFFFAOYSA-N
XLogP2.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
CID 163811694
ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate
CID 61114412
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate
CID 61164393
ethyl 2-[cyclopropyl-[2-(2-methylphenoxy)acetyl]amino]acetate
CID 61410246
ethyl 2-[cyclopropyl(2-hydroxyethoxycarbonyl)amino]acetate
CID 79345308
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
CID 61410360
ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate
CID 62025910
ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate
CID 61114031
ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate
CID 61410210
ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
CID 65173932
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate (CID 54979510) is ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate is CCOC(=O)CN(C(=O)Oc1ccccc1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate?
The InChIKey is JCFVPYRQNOMELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-18-13(16)10-15(11-8-9-11)14(17)19-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate?
ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate has a molecular weight of 263.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate is sourced from PubChem (CID 54979510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).