3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid

C13H22N2O3 — CID 114111558

IUPAC3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(C)(NC(=O)NC(CC(=O)O)C1CC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-13(2,9-5-6-9)15-12(18)14-10(7-11(16)17)8-3-4-8/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyQITLTBVQARXFKK-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.73
Rot. Bonds6

About 3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid

3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid (PubChem CID 114111558) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid
PubChem CID114111558
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(C)(NC(=O)NC(CC(=O)O)C1CC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-13(2,9-5-6-9)15-12(18)14-10(7-11(16)17)8-3-4-8/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyQITLTBVQARXFKK-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82003378
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CID 102907220
3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid
CID 82003269
3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid
CID 81362383
3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid
CID 103019197
3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid
CID 82003164
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid
CID 107472588
3-cyclopentyl-3-(propan-2-ylamino)propanoic acid
CID 83637719
3-cyclopropyl-3-(octan-4-ylcarbamoylamino)propanoic acid
CID 106020595
2-[(2-cyclopropylpropan-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 114111567
N-(1-cyclopropyl-3-oxobutyl)acetamide
CID 13286853
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CID 82002968

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid (CID 114111558) is 3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid is CC(C)(NC(=O)NC(CC(=O)O)C1CC1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is QITLTBVQARXFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,9-5-6-9)15-12(18)14-10(7-11(16)17)8-3-4-8/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid?
3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 114111558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).