2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid

C10H18N2O3 — CID 79801490

IUPAC2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(C)C1CC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-4-10(2,8(13)14)11-9(15)12(3)7-5-6-7/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyFIDCFLCEXCMACN-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.04
Rot. Bonds4

About 2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid

2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid (PubChem CID 79801490) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
PubChem CID79801490
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(C)C1CC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-4-10(2,8(13)14)11-9(15)12(3)7-5-6-7/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyFIDCFLCEXCMACN-UHFFFAOYSA-N
XLogP1.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 79800820
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
2-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801677
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 79801359
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801439
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002549
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 62547381
2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79801349

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid (CID 79801490) is 2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)N(C)C1CC1)C(=O)O.
What is the InChIKey of 2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is FIDCFLCEXCMACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-10(2,8(13)14)11-9(15)12(3)7-5-6-7/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid?
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79801490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).