3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid

C10H16N2O3 — CID 108915296

IUPAC3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid
SMILESC/C(=C\NC(=O)NCCC(=O)O)C1CC1
InChIInChI=1S/C10H16N2O3/c1-7(8-2-3-8)6-12-10(15)11-5-4-9(13)14/h6,8H,2-5H2,1H3,(H,13,14)(H2,11,12,15)/b7-6+
InChIKeyCWGCGNASANXSIF-VOTSOKGWSA-N
MW212.25 g/mol
LogP1.07
Rot. Bonds5

About 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid

3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid (PubChem CID 108915296) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid
PubChem CID108915296
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid
SMILESC/C(=C\NC(=O)NCCC(=O)O)C1CC1
InChIInChI=1S/C10H16N2O3/c1-7(8-2-3-8)6-12-10(15)11-5-4-9(13)14/h6,8H,2-5H2,1H3,(H,13,14)(H2,11,12,15)/b7-6+
InChIKeyCWGCGNASANXSIF-VOTSOKGWSA-N
XLogP1.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate
CID 108915612
1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108913903
1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108915421
1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea
CID 108913992
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 108915633
N-[(E)-2-cyclopropylprop-1-enyl]pyrrolidine-1-carboxamide
CID 108915443
3-[[4-(acetamidomethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 23790627
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid
CID 113408719
3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953755
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea
CID 108915473
3-[(4-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 122006845

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid (CID 108915296) is 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid is C/C(=C\NC(=O)NCCC(=O)O)C1CC1.
What is the InChIKey of 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid?
The InChIKey is CWGCGNASANXSIF-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(8-2-3-8)6-12-10(15)11-5-4-9(13)14/h6,8H,2-5H2,1H3,(H,13,14)(H2,11,12,15)/b7-6+.
What are the key properties of 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid?
3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 108915296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).