3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid

C12H19NO2 — CID 143545221

IUPAC3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid
SMILESC/C=C1/CCC(NCCC(=O)O)/C1=C/C
InChIInChI=1S/C12H19NO2/c1-3-9-5-6-11(10(9)4-2)13-8-7-12(14)15/h3-4,11,13H,5-8H2,1-2H3,(H,14,15)/b9-3-,10-4+
InChIKeyQMQMAMRHXATLBR-INWPEIIHSA-N
MW209.29 g/mol
LogP2.11
Rot. Bonds4

About 3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid

3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid (PubChem CID 143545221) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid
PubChem CID143545221
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid
SMILESC/C=C1/CCC(NCCC(=O)O)/C1=C/C
InChIInChI=1S/C12H19NO2/c1-3-9-5-6-11(10(9)4-2)13-8-7-12(14)15/h3-4,11,13H,5-8H2,1-2H3,(H,14,15)/b9-3-,10-4+
InChIKeyQMQMAMRHXATLBR-INWPEIIHSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid 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

3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
(2E,3Z)-3-ethylidene-2-prop-2-enylidene-N-prop-2-ynylcyclopentan-1-amine
CID 126547356
3-(oxan-3-ylamino)propanoic acid
CID 63363556
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
3-[(2-methylcyclopropyl)amino]propanoic acid
CID 62398720
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
3-[3-(cyclopropylamino)propanoyl-ethylamino]propanoic acid
CID 62328828
3-[(3-cyclopropylcyclohexyl)amino]propanoic acid
CID 64593896
butanedioic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 44611628
3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propanoic acid
CID 43774861
3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65084019
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180

Frequently Asked Questions

What is the IUPAC name of 3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid?
The IUPAC name of 3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid (CID 143545221) is 3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid is C/C=C1/CCC(NCCC(=O)O)/C1=C/C.
What is the InChIKey of 3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid?
The InChIKey is QMQMAMRHXATLBR-INWPEIIHSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-9-5-6-11(10(9)4-2)13-8-7-12(14)15/h3-4,11,13H,5-8H2,1-2H3,(H,14,15)/b9-3-,10-4+.
What are the key properties of 3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid?
3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid has a molecular weight of 209.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid is sourced from PubChem (CID 143545221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).