7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid

C19H38N2O4 — CID 54091292

IUPAC7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid
SMILESCC(C)(C)CCCC(O)CCCN(CCCCCCC(=O)O)C(N)=O
InChIInChI=1S/C19H38N2O4/c1-19(2,3)13-8-10-16(22)11-9-15-21(18(20)25)14-7-5-4-6-12-17(23)24/h16,22H,4-15H2,1-3H3,(H2,20,25)(H,23,24)
InChIKeyMUASMCHCWBCNFY-UHFFFAOYSA-N
MW358.52 g/mol
LogP3.76
Rot. Bonds14

About 7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid

7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid (PubChem CID 54091292) has the molecular formula C19H38N2O4 and a molecular weight of 358.52 g/mol. Its IUPAC name is 7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid
PubChem CID54091292
Molecular FormulaC19H38N2O4
Molecular Weight358.52 g/mol
Exact Mass358.28
IUPAC Name7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid
SMILESCC(C)(C)CCCC(O)CCCN(CCCCCCC(=O)O)C(N)=O
InChIInChI=1S/C19H38N2O4/c1-19(2,3)13-8-10-16(22)11-9-15-21(18(20)25)14-7-5-4-6-12-17(23)24/h16,22H,4-15H2,1-3H3,(H2,20,25)(H,23,24)
InChIKeyMUASMCHCWBCNFY-UHFFFAOYSA-N
XLogP3.76
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid
CID 21401698
6,6-dimethylheptanoic acid;8,8-dimethylnonanoic acid;zinc
CID 56844104
7,7-dimethyloctanoic acid;hafnium
CID 174685338
7,7-dimethyloctanoic acid;mercury
CID 159526990
6,6-dimethylheptanoic acid;7,7-dimethyloctanoic acid;iron
CID 56841408
cerium;6,6-dimethylheptanoic acid;bis(8,8-dimethylnonanoic acid)
CID 56844010
alumane;7,7-dimethyloctanoic acid
CID 174339298
7,7-dimethyloctanoic acid;platinum
CID 174840120
6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
5-hydroxytridecanedioic acid
CID 139805426
18,21-dihydroxytriacontanoic acid
CID 169277047
16,19-dihydroxydocosanoic acid
CID 169277473

Frequently Asked Questions

What is the IUPAC name of 7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid?
The IUPAC name of 7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid (CID 54091292) is 7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid?
The canonical SMILES for 7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid is CC(C)(C)CCCC(O)CCCN(CCCCCCC(=O)O)C(N)=O.
What is the InChIKey of 7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid?
The InChIKey is MUASMCHCWBCNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O4/c1-19(2,3)13-8-10-16(22)11-9-15-21(18(20)25)14-7-5-4-6-12-17(23)24/h16,22H,4-15H2,1-3H3,(H2,20,25)(H,23,24).
What are the key properties of 7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid?
7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid has a molecular weight of 358.52 g/mol, XLogP of 3.76, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid is sourced from PubChem (CID 54091292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).