2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid

C13H24N2O3 — CID 79801439

IUPAC2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(CC1CC1)C(C)C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-5-13(4,11(16)17)14-12(18)15(9(2)3)8-10-6-7-10/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyBRXWWYMUCCZCJS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds6

About 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid

2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid (PubChem CID 79801439) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
PubChem CID79801439
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(CC1CC1)C(C)C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-5-13(4,11(16)17)14-12(18)15(9(2)3)8-10-6-7-10/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyBRXWWYMUCCZCJS-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 79801521
3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821381
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670304
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55000658
2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804081
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 107401070
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 79801359
2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
CID 119198955

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid (CID 79801439) is 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)N(CC1CC1)C(C)C)C(=O)O.
What is the InChIKey of 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is BRXWWYMUCCZCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-13(4,11(16)17)14-12(18)15(9(2)3)8-10-6-7-10/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid?
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79801439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).