4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid

C14H23NO5 — CID 174579471

IUPAC4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid
SMILESCCC(CC)OC1CC(C(=O)O)C=C(O)C1NC(C)=O
InChIInChI=1S/C14H23NO5/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(17)13(12)15-8(3)16/h6,9-10,12-13,17H,4-5,7H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyGCDZOAXXLQNQFM-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.61
Rot. Bonds6

About 4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid

4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid (PubChem CID 174579471) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid
PubChem CID174579471
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid
SMILESCCC(CC)OC1CC(C(=O)O)C=C(O)C1NC(C)=O
InChIInChI=1S/C14H23NO5/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(17)13(12)15-8(3)16/h6,9-10,12-13,17H,4-5,7H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyGCDZOAXXLQNQFM-UHFFFAOYSA-N
XLogP1.61
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-3-benzoyloxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid
CID 174594778
N-(4-bromo-6-hydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide
CID 91077590
(3S,4R)-4-acetamido-3-pentan-3-yloxycyclohexene-1-carboxylic acid
CID 10890909
(1S,4R,5R)-3,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
CID 46936953
(3S,4R,5R)-4-acetamido-3-(diaminomethylideneamino)-5-pentan-3-yloxycyclohexene-1-carboxylic acid
CID 46241290
2-[(1R,5R,6R)-6-acetamido-3-methyl-5-pentan-3-yloxycyclohex-3-en-1-yl]acetic acid
CID 59076477
(3R,4R,5S)-4-acetamido-5-[di(propan-2-yl)carbamothioylamino]-3-pentan-3-yloxycyclohexene-1-carboxylic acid
CID 162644157
ethyl 4-acetamido-3-pentan-3-yloxycyclohexene-1-carboxylate
CID 77494181
ethyl (3R,4R,5R)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate
CID 44512453
ethyl 4,5-diacetamido-3-pentan-3-yloxycyclohexene-1-carboxylate
CID 146156596
ethyl (3S,4R,5R)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate;hydrochloride
CID 163202620
acetyloxymethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate
CID 177228402

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid?
The IUPAC name of 4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid (CID 174579471) is 4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid?
The canonical SMILES for 4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid is CCC(CC)OC1CC(C(=O)O)C=C(O)C1NC(C)=O.
What is the InChIKey of 4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid?
The InChIKey is GCDZOAXXLQNQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(17)13(12)15-8(3)16/h6,9-10,12-13,17H,4-5,7H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid?
4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-hydroxy-5-pentan-3-yloxycyclohex-2-ene-1-carboxylic acid is sourced from PubChem (CID 174579471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).