6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid

C14H25NO4 — CID 54875131

IUPAC6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C14H25NO4/c16-11-10-15(12-6-2-1-3-7-12)13(17)8-4-5-9-14(18)19/h12,16H,1-11H2,(H,18,19)
InChIKeyQQGFCPNBZFCKEU-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.78
Rot. Bonds8

About 6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid

6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid (PubChem CID 54875131) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
PubChem CID54875131
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C14H25NO4/c16-11-10-15(12-6-2-1-3-7-12)13(17)8-4-5-9-14(18)19/h12,16H,1-11H2,(H,18,19)
InChIKeyQQGFCPNBZFCKEU-UHFFFAOYSA-N
XLogP1.78
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 43578459
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 60953691
N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107026376
6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid
CID 60949466
5-[cyclobutyl(2-hydroxyethyl)amino]pentanoic acid
CID 102863962
N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 102862127
3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N-cyclohexyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide
CID 54942745
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79205212

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid (CID 54875131) is 6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid is O=C(O)CCCCC(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid?
The InChIKey is QQGFCPNBZFCKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c16-11-10-15(12-6-2-1-3-7-12)13(17)8-4-5-9-14(18)19/h12,16H,1-11H2,(H,18,19).
What are the key properties of 6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid?
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 54875131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).