3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid

C12H20N2O3 — CID 82003269

IUPAC3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid
SMILESCC1(C)CC1NC(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C12H20N2O3/c1-12(2)6-9(12)14-11(17)13-8(5-10(15)16)7-3-4-7/h7-9H,3-6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyYTYGBUJMXYTDOW-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.34
Rot. Bonds5

About 3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid

3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid (PubChem CID 82003269) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid
PubChem CID82003269
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid
SMILESCC1(C)CC1NC(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C12H20N2O3/c1-12(2)6-9(12)14-11(17)13-8(5-10(15)16)7-3-4-7/h7-9H,3-6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyYTYGBUJMXYTDOW-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
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

2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid
CID 62711233
5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964927
(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755976
3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid
CID 114111558
3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907220
3-cyclopropyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 82003067
3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid
CID 82003164
3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid
CID 82003378
3-cyclopropyl-3-(octan-4-ylcarbamoylamino)propanoic acid
CID 106020595
1-(2,2-dimethylcyclopropyl)-3-ethylurea
CID 115590496
3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 82002968
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CID 82002423

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid (CID 82003269) is 3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid is CC1(C)CC1NC(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid?
The InChIKey is YTYGBUJMXYTDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2)6-9(12)14-11(17)13-8(5-10(15)16)7-3-4-7/h7-9H,3-6H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid?
3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 82003269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).