2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid

C11H17NO3 — CID 61021350

IUPAC2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CC=CCC1
InChIInChI=1S/C11H17NO3/c1-2-12(8-10(13)14)11(15)9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3,(H,13,14)
InChIKeyYYSJTQKKXBKAPT-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.28
Rot. Bonds4

About 2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid

2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid (PubChem CID 61021350) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid
PubChem CID61021350
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CC=CCC1
InChIInChI=1S/C11H17NO3/c1-2-12(8-10(13)14)11(15)9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3,(H,13,14)
InChIKeyYYSJTQKKXBKAPT-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid
CID 24696987
N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide
CID 71983310
2-[cyclopent-3-ene-1-carbonyl(propyl)amino]acetic acid
CID 64767264
N-cyclopentyl-N-ethylcyclohex-3-ene-1-carboxamide
CID 86926977
(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459978
(1R)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459977
N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 86911274
3-[cyclohex-3-ene-1-carbonyl(2-methylpropyl)amino]propanoic acid
CID 119189963
N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
CID 86911262
N-propyl-N-prop-2-ynylcyclohex-3-ene-1-carboxamide
CID 78970491
2-[N-(cyclohex-3-ene-1-carbonyl)-4-methylanilino]acetic acid
CID 60832118
(1S)-N-(cyanomethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 125145424

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid?
The IUPAC name of 2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid (CID 61021350) is 2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid is CCN(CC(=O)O)C(=O)C1CC=CCC1.
What is the InChIKey of 2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid?
The InChIKey is YYSJTQKKXBKAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-12(8-10(13)14)11(15)9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3,(H,13,14).
What are the key properties of 2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid?
2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid is sourced from PubChem (CID 61021350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).