[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate

C14H17NO4 — CID 8791431

IUPAC[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate
SMILESC[C@H](Oc1ccccc1)C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C14H17NO4/c1-10(19-12-5-3-2-4-6-12)14(17)18-9-13(16)15-11-7-8-11/h2-6,10-11H,7-9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyHXZAAWPTEVPVOU-JTQLQIEISA-N
MW263.29 g/mol
LogP1.28
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate

[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate (PubChem CID 8791431) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate
PubChem CID8791431
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate
SMILESC[C@H](Oc1ccccc1)C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C14H17NO4/c1-10(19-12-5-3-2-4-6-12)14(17)18-9-13(16)15-11-7-8-11/h2-6,10-11H,7-9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyHXZAAWPTEVPVOU-JTQLQIEISA-N
XLogP1.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867384
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867507
[2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233313
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (2R)-2-phenoxypropanoate
CID 7833447
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806670
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 9348412
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenoxypropanoate
CID 9348411
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate
CID 9348408
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-phenoxypropanoate
CID 8790635
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 9348364
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate (CID 8791431) is [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate is C[C@H](Oc1ccccc1)C(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate?
The InChIKey is HXZAAWPTEVPVOU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(19-12-5-3-2-4-6-12)14(17)18-9-13(16)15-11-7-8-11/h2-6,10-11H,7-9H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate?
[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate has a molecular weight of 263.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate is sourced from PubChem (CID 8791431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).