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

C16H30N2O3 — CID 65287805

IUPAC6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCC(C)CN(C(=O)NCCC(C)(C)CCC(=O)O)C1CC1
InChIInChI=1S/C16H30N2O3/c1-12(2)11-18(13-5-6-13)15(21)17-10-9-16(3,4)8-7-14(19)20/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyUVPOLQYCVXWUQZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.10
Rot. Bonds9

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

6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 65287805) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
PubChem CID65287805
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCC(C)CN(C(=O)NCCC(C)(C)CCC(=O)O)C1CC1
InChIInChI=1S/C16H30N2O3/c1-12(2)11-18(13-5-6-13)15(21)17-10-9-16(3,4)8-7-14(19)20/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyUVPOLQYCVXWUQZ-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 55001169
6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287303
6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287692
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65290122
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287485
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428628
6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
CID 83147001
6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289831
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 55001073
6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289120

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid (CID 65287805) is 6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid is CC(C)CN(C(=O)NCCC(C)(C)CCC(=O)O)C1CC1.
What is the InChIKey of 6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is UVPOLQYCVXWUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)11-18(13-5-6-13)15(21)17-10-9-16(3,4)8-7-14(19)20/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65287805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).