4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid

C12H24N2O3 — CID 104829285

IUPAC4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid
SMILESCC(CCNC(=O)NC(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(10(15)16)6-7-13-11(17)14-9(2)12(3,4)5/h8-9H,6-7H2,1-5H3,(H,15,16)(H2,13,14,17)
InChIKeyKQPHXGBKFYGWMD-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.83
Rot. Bonds5

About 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid

4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid (PubChem CID 104829285) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid
PubChem CID104829285
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid
SMILESCC(CCNC(=O)NC(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(10(15)16)6-7-13-11(17)14-9(2)12(3,4)5/h8-9H,6-7H2,1-5H3,(H,15,16)(H2,13,14,17)
InChIKeyKQPHXGBKFYGWMD-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841000
6-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylheptanoic acid
CID 104829393
2-methyl-4-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 80540549
4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 80540820
4-(1-cyclopropylethylcarbamoylamino)-2-methylbutanoic acid
CID 80540831
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 80541843
4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2-methylbutanoic acid
CID 80540539
2-methyl-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 80538397
4-[(4-amino-4-oxobutyl)carbamoylamino]-2-methylbutanoic acid
CID 80540555
4-(methoxycarbonylamino)-2-methylbutanoic acid
CID 80540364

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid (CID 104829285) is 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid is CC(CCNC(=O)NC(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid?
The InChIKey is KQPHXGBKFYGWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(10(15)16)6-7-13-11(17)14-9(2)12(3,4)5/h8-9H,6-7H2,1-5H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid?
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 104829285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).