6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid

C15H30N2O3 — CID 65290122

IUPAC6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCCN(CC(C)C)C(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-6-17(11-12(2)3)14(20)16-10-9-15(4,5)8-7-13(18)19/h12H,6-11H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyRQVSAIUHADHXHH-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.95
Rot. Bonds9

About 6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid

6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 65290122) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
PubChem CID65290122
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCCN(CC(C)C)C(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-6-17(11-12(2)3)14(20)16-10-9-15(4,5)8-7-13(18)19/h12H,6-11H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyRQVSAIUHADHXHH-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289831
6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287805
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287485
3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
CID 61378500
4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid
CID 62049660
4-[[2,2-dimethylpropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 122022173
4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
CID 65287517
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287610
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
CID 65284966

Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid (CID 65290122) is 6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid is CCN(CC(C)C)C(=O)NCCC(C)(C)CCC(=O)O.
What is the InChIKey of 6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is RQVSAIUHADHXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-17(11-12(2)3)14(20)16-10-9-15(4,5)8-7-13(18)19/h12H,6-11H2,1-5H3,(H,16,20)(H,18,19).
What are the key properties of 6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65290122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).