3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid

C12H20N2O3 — CID 82003378

IUPAC3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)NCCC1CC1)C1CC1
InChIInChI=1S/C12H20N2O3/c15-11(16)7-10(9-3-4-9)14-12(17)13-6-5-8-1-2-8/h8-10H,1-7H2,(H,15,16)(H2,13,14,17)
InChIKeyOUUNCAQABDYDOU-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.34
Rot. Bonds7

About 3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid

3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid (PubChem CID 82003378) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid
PubChem CID82003378
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)NCCC1CC1)C1CC1
InChIInChI=1S/C12H20N2O3/c15-11(16)7-10(9-3-4-9)14-12(17)13-6-5-8-1-2-8/h8-10H,1-7H2,(H,15,16)(H2,13,14,17)
InChIKeyOUUNCAQABDYDOU-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2-cyclopropylethyl)urea
CID 68635931
3-cyclopropyl-3-(oxan-4-ylmethylcarbamoylamino)propanoic acid
CID 82002423
3-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 114128571
3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907220
3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid
CID 114154454
3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid
CID 82003164
3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid
CID 114111558
(2R)-2-(2-cyclopropylethylcarbamoylamino)hexanedioic acid
CID 107840303
3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 82002968
3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid
CID 81362383
3-cyclopropyl-3-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 82003366
3-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]pentanoic acid
CID 81067819

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid (CID 82003378) is 3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid is O=C(O)CC(NC(=O)NCCC1CC1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid?
The InChIKey is OUUNCAQABDYDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)7-10(9-3-4-9)14-12(17)13-6-5-8-1-2-8/h8-10H,1-7H2,(H,15,16)(H2,13,14,17).
What are the key properties of 3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid?
3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 82003378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).