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

C16H30N2O3 — CID 65287303

IUPAC6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCCCCN(C(=O)NCCC(C)(C)CCC(=O)O)C1CC1
InChIInChI=1S/C16H30N2O3/c1-4-5-12-18(13-6-7-13)15(21)17-11-10-16(2,3)9-8-14(19)20/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyQFOIOHDKWVACMA-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.24
Rot. Bonds10

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

6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 65287303) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
PubChem CID65287303
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCCCCN(C(=O)NCCC(C)(C)CCC(=O)O)C1CC1
InChIInChI=1S/C16H30N2O3/c1-4-5-12-18(13-6-7-13)15(21)17-11-10-16(2,3)9-8-14(19)20/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyQFOIOHDKWVACMA-UHFFFAOYSA-N
XLogP3.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287692
6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287805
6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289219
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
CID 61209232
2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223685
6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289831
4,4-dimethyl-6-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]hexanoic acid
CID 65289121
6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289120
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750

Frequently Asked Questions

What is the IUPAC name of 6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid (CID 65287303) is 6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid is CCCCN(C(=O)NCCC(C)(C)CCC(=O)O)C1CC1.
What is the InChIKey of 6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is QFOIOHDKWVACMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-5-12-18(13-6-7-13)15(21)17-11-10-16(2,3)9-8-14(19)20/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65287303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).