methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate

C11H18N2O3 — CID 108915612

IUPACmethyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)N/C=C(\C)C1CC1
InChIInChI=1S/C11H18N2O3/c1-8(9-3-4-9)7-13-11(15)12-6-5-10(14)16-2/h7,9H,3-6H2,1-2H3,(H2,12,13,15)/b8-7+
InChIKeyYXSVRZMSSQIIKM-BQYQJAHWSA-N
MW226.28 g/mol
LogP1.16
Rot. Bonds5

About methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate

methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate (PubChem CID 108915612) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate
PubChem CID108915612
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)N/C=C(\C)C1CC1
InChIInChI=1S/C11H18N2O3/c1-8(9-3-4-9)7-13-11(15)12-6-5-10(14)16-2/h7,9H,3-6H2,1-2H3,(H2,12,13,15)/b8-7+
InChIKeyYXSVRZMSSQIIKM-BQYQJAHWSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 3-[[(E)-2-cyclopropylprop-1-enyl]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

3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid
CID 108915296
1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea
CID 108913992
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
methyl 3-(acetyloxycarbonylamino)propanoate
CID 174888449
N-[(E)-2-cyclopropylprop-1-enyl]pyrrolidine-1-carboxamide
CID 108915443
methyl 3-(prop-2-enylcarbamoylamino)propanoate
CID 60706179
methyl 3-(3-oxobutanoylamino)propanoate
CID 61249216
(3-methoxy-3-oxopropyl)carbamodithioic acid
CID 24972884
4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
CID 61300129
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
CID 60778061
methyl 3-(carboniodidoylamino)propanoate
CID 129042204

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate?
The IUPAC name of methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate (CID 108915612) is methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate.
What is the SMILES notation for methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate?
The canonical SMILES for methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate is COC(=O)CCNC(=O)N/C=C(\C)C1CC1.
What is the InChIKey of methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate?
The InChIKey is YXSVRZMSSQIIKM-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(9-3-4-9)7-13-11(15)12-6-5-10(14)16-2/h7,9H,3-6H2,1-2H3,(H2,12,13,15)/b8-7+.
What are the key properties of methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate?
methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate has a molecular weight of 226.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate is sourced from PubChem (CID 108915612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).