(1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate

C17H23NO4 — CID 130176818

IUPAC(1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate
SMILESCNC(CC1CC1)C(=O)OC(C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO4/c1-12(16(19)21-11-14-6-4-3-5-7-14)22-17(20)15(18-2)10-13-8-9-13/h3-7,12-13,15,18H,8-11H2,1-2H3
InChIKeyANEULEDCQHRMBA-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.05
Rot. Bonds8

About (1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate

(1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate (PubChem CID 130176818) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate.

Molecular Properties

Compound Name(1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate
PubChem CID130176818
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate
SMILESCNC(CC1CC1)C(=O)OC(C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO4/c1-12(16(19)21-11-14-6-4-3-5-7-14)22-17(20)15(18-2)10-13-8-9-13/h3-7,12-13,15,18H,8-11H2,1-2H3
InChIKeyANEULEDCQHRMBA-UHFFFAOYSA-N
XLogP2.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate 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

benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
(1-oxo-1-phenylmethoxypropan-2-yl) 3-methyl-2-(methylamino)butanoate
CID 59575434
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807
[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 126705764
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958
[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate
CID 126688929
(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54104350
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
1-O-methyl 2-O-(1-oxo-1-phenylmethoxypropan-2-yl) oxalate
CID 172654611
(1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate
CID 59575428
[(2R)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl] benzoate
CID 125121015
benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
CID 106484144

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate?
The IUPAC name of (1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate (CID 130176818) is (1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate.
What is the SMILES notation for (1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate?
The canonical SMILES for (1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate is CNC(CC1CC1)C(=O)OC(C)C(=O)OCc1ccccc1.
What is the InChIKey of (1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate?
The InChIKey is ANEULEDCQHRMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(16(19)21-11-14-6-4-3-5-7-14)22-17(20)15(18-2)10-13-8-9-13/h3-7,12-13,15,18H,8-11H2,1-2H3.
What are the key properties of (1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate?
(1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate has a molecular weight of 305.37 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylmethoxypropan-2-yl) 3-cyclopropyl-2-(methylamino)propanoate is sourced from PubChem (CID 130176818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).