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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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).