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

C15H28N2O4 — CID 65287692

IUPAC6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCOCCN(C(=O)NCCC(C)(C)CCC(=O)O)C1CC1
InChIInChI=1S/C15H28N2O4/c1-15(2,7-6-13(18)19)8-9-16-14(20)17(10-11-21-3)12-4-5-12/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPTSYVIAZHJNDLN-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds10

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

6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 65287692) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
PubChem CID65287692
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCOCCN(C(=O)NCCC(C)(C)CCC(=O)O)C1CC1
InChIInChI=1S/C15H28N2O4/c1-15(2,7-6-13(18)19)8-9-16-14(20)17(10-11-21-3)12-4-5-12/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPTSYVIAZHJNDLN-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287303
6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287805
3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 61452624
5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61452865
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069043
3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
CID 61209232
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289120
4,4-dimethyl-6-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]hexanoic acid
CID 65289121
6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289318
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623
6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289219

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid (CID 65287692) is 6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid is COCCN(C(=O)NCCC(C)(C)CCC(=O)O)C1CC1.
What is the InChIKey of 6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is PTSYVIAZHJNDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-15(2,7-6-13(18)19)8-9-16-14(20)17(10-11-21-3)12-4-5-12/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65287692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).