2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid

C11H17NO3 — CID 63689811

IUPAC2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)C1CC=CCC1
InChIInChI=1S/C11H17NO3/c1-2-12(8-13)10(11(14)15)9-6-4-3-5-7-9/h3-4,8-10H,2,5-7H2,1H3,(H,14,15)
InChIKeyZBOGRBLMTSZSLQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.27
Rot. Bonds5

About 2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid

2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid (PubChem CID 63689811) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid
PubChem CID63689811
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)C1CC=CCC1
InChIInChI=1S/C11H17NO3/c1-2-12(8-13)10(11(14)15)9-6-4-3-5-7-9/h3-4,8-10H,2,5-7H2,1H3,(H,14,15)
InChIKeyZBOGRBLMTSZSLQ-UHFFFAOYSA-N
XLogP1.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(1-(cyclohex-3-en-1-yl)-N-(propan-2-yl)formamido)acetate
CID 54941883
(2S)-1-(cyclohept-4-ene-1-carbonyl)piperidine-2-carboxylic acid
CID 164631311
(2R,3S)-3-ethenyl-2-(2-oxopyrrolidin-1-yl)hexanoic acid
CID 168330238
1-(2-Cyclopent-2-en-1-ylacetyl)-4,4-difluoropiperidine-2-carboxylic acid
CID 155956566
2-[Cyclohex-2-en-1-yl(methyl)amino]-4-methylpentanoic acid
CID 18380670
(S)-2-((S)-N,2-Dimethylhexanamido)pent-4-enoic acid
CID 59423740
(S)-2-(N-methyl-2-propylpentanamido)pent-4-enoic acid
CID 59423758
(S)-2-((R)-N,2-dimethylhexanamido)pent-4-enoic acid
CID 59423795
(2S)-2-[2-ethylhexanoyl(methyl)amino]pent-4-enoic acid
CID 59423801
(2S,4R)-4-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 66862540
(2S,4R)-4-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 66862541
2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]hex-4-enoic acid
CID 69409474

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid (CID 63689811) is 2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid is CCN(C=O)C(C(=O)O)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid?
The InChIKey is ZBOGRBLMTSZSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-12(8-13)10(11(14)15)9-6-4-3-5-7-9/h3-4,8-10H,2,5-7H2,1H3,(H,14,15).
What are the key properties of 2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid?
2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid is sourced from PubChem (CID 63689811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).