methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate

C15H20N2O4 — CID 96535661

IUPACmethyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C[C@H](NC(=O)Nc1ccc(OC)cc1)C1CC1
InChIInChI=1S/C15H20N2O4/c1-20-12-7-5-11(6-8-12)16-15(19)17-13(10-3-4-10)9-14(18)21-2/h5-8,10,13H,3-4,9H2,1-2H3,(H2,16,17,19)/t13-/m0/s1
InChIKeyIBQYZPXYNIUIRT-ZDUSSCGKSA-N
MW292.34 g/mol
LogP2.16
Rot. Bonds6

About methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate

methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate (PubChem CID 96535661) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate
PubChem CID96535661
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C[C@H](NC(=O)Nc1ccc(OC)cc1)C1CC1
InChIInChI=1S/C15H20N2O4/c1-20-12-7-5-11(6-8-12)16-15(19)17-13(10-3-4-10)9-14(18)21-2/h5-8,10,13H,3-4,9H2,1-2H3,(H2,16,17,19)/t13-/m0/s1
InChIKeyIBQYZPXYNIUIRT-ZDUSSCGKSA-N
XLogP2.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]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

methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate
CID 171682544
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide
CID 95773405
(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate
CID 7647483
2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469978
1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea
CID 47133290
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
CID 110297406
ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate
CID 134161996
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
1-cyclopentyloxy-3-(4-methoxyphenyl)urea
CID 112551748

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate?
The IUPAC name of methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate (CID 96535661) is methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate is COC(=O)C[C@H](NC(=O)Nc1ccc(OC)cc1)C1CC1.
What is the InChIKey of methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate?
The InChIKey is IBQYZPXYNIUIRT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-12-7-5-11(6-8-12)16-15(19)17-13(10-3-4-10)9-14(18)21-2/h5-8,10,13H,3-4,9H2,1-2H3,(H2,16,17,19)/t13-/m0/s1.
What are the key properties of methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate?
methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate has a molecular weight of 292.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-cyclopropyl-3-[(4-methoxyphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 96535661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).