3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid

C11H22N2O3 — CID 64597206

IUPAC3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
SMILESCC(CNC(=O)NCC(C)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-7(2)8(3)5-12-11(16)13-6-9(4)10(14)15/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyOCMRTIMYSANGKF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.30
Rot. Bonds6

About 3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid

3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid (PubChem CID 64597206) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
PubChem CID64597206
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
SMILESCC(CNC(=O)NCC(C)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-7(2)8(3)5-12-11(16)13-6-9(4)10(14)15/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyOCMRTIMYSANGKF-UHFFFAOYSA-N
XLogP1.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
(2S)-2-(2,3-dimethylbutylcarbamoylamino)-3-methylbutanoic acid
CID 64598628
4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107840202
2-methyl-3-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 62669013
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 63957312
2-methyl-3-(2-methylsulfanylethylcarbamoylamino)propanoic acid
CID 63957265
2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 64598626
4-amino-N-(2,3-dimethylbutyl)-2-methylbutanamide
CID 80544787
2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid
CID 43538632
2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 62669389
3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid (CID 64597206) is 3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid is CC(CNC(=O)NCC(C)C(C)C)C(=O)O.
What is the InChIKey of 3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid?
The InChIKey is OCMRTIMYSANGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)8(3)5-12-11(16)13-6-9(4)10(14)15/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid?
3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 64597206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).