[(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium

C12H21N2O3+ — CID 163483775

IUPAC[(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium
SMILESCN/C(OCC1CCCCC1)=C(\C=[NH2+])C(=O)O
InChIInChI=1S/C12H20N2O3/c1-14-11(10(7-13)12(15)16)17-8-9-5-3-2-4-6-9/h7,9,13-14H,2-6,8H2,1H3,(H,15,16)/p+1/b11-10-,13-7?
InChIKeyCGUFEQCYTPDOKA-QXVPBRALSA-O
MW241.31 g/mol
LogP-0.07
Rot. Bonds6

About [(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium

[(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium (PubChem CID 163483775) has the molecular formula C12H21N2O3+ and a molecular weight of 241.31 g/mol. Its IUPAC name is [(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium.

Molecular Properties

Compound Name[(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium
PubChem CID163483775
Molecular FormulaC12H21N2O3+
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name[(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium
SMILESCN/C(OCC1CCCCC1)=C(\C=[NH2+])C(=O)O
InChIInChI=1S/C12H20N2O3/c1-14-11(10(7-13)12(15)16)17-8-9-5-3-2-4-6-9/h7,9,13-14H,2-6,8H2,1H3,(H,15,16)/p+1/b11-10-,13-7?
InChIKeyCGUFEQCYTPDOKA-QXVPBRALSA-O
XLogP-0.07
TPSA84.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloheptylmethyl N-methylcarbamate
CID 57322822
3-(cyclohexylmethoxy)-3-oxopropanoic acid
CID 19378623
cyclohexylmethyl 2-oxoacetate
CID 174782114
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
cyclopentylmethyl 2-amino-2-methylpropanoate
CID 66321792
2-(cyclohexylmethoxycarbonylamino)acetic acid
CID 66620693
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
cyclopentylmethyl 2-methylpropanoate
CID 21063892
cyclohexylmethyl 2-amino-2-cyclohexylacetate
CID 62383818
4-(cyclohexylmethoxy)-3,3-dimethyl-4-oxobutanoic acid
CID 54253433

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium?
The IUPAC name of [(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium (CID 163483775) is [(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium.
What is the SMILES notation for [(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium?
The canonical SMILES for [(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium is CN/C(OCC1CCCCC1)=C(\C=[NH2+])C(=O)O.
What is the InChIKey of [(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium?
The InChIKey is CGUFEQCYTPDOKA-QXVPBRALSA-O. The full InChI is InChI=1S/C12H20N2O3/c1-14-11(10(7-13)12(15)16)17-8-9-5-3-2-4-6-9/h7,9,13-14H,2-6,8H2,1H3,(H,15,16)/p+1/b11-10-,13-7?.
What are the key properties of [(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium?
[(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium has a molecular weight of 241.31 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-carboxy-3-(cyclohexylmethoxy)-3-(methylamino)prop-2-enylidene]azanium is sourced from PubChem (CID 163483775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).