2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid

C13H24N2O3 — CID 79803996

IUPAC2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)N(C)CC1CCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-13(5-2,11(16)17)14-12(18)15(3)9-10-7-6-8-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyLQQBMDPRZHWYEA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds6

About 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid

2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid (PubChem CID 79803996) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
PubChem CID79803996
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)N(C)CC1CCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-13(5-2,11(16)17)14-12(18)15(3)9-10-7-6-8-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyLQQBMDPRZHWYEA-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-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804081
2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 79803922
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
2-ethyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 79804578
2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 79803567
2-(cyclobutylmethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804222
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801582
2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 63706063
2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 63706066
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927983
2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79804069

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid (CID 79803996) is 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)N(C)CC1CCC1)C(=O)O.
What is the InChIKey of 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid?
The InChIKey is LQQBMDPRZHWYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-13(5-2,11(16)17)14-12(18)15(3)9-10-7-6-8-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid?
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic 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-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79803996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).