cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid

C12H19NO4 — CID 5275680

IUPACcis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
SMILESC=C1C[C@H](NC(=O)OC(C)(C)C)[C@H](C(=O)O)C1
InChIInChI=1S/C12H19NO4/c1-7-5-8(10(14)15)9(6-7)13-11(16)17-12(2,3)4/h8-9H,1,5-6H2,2-4H3,(H,13,16)(H,14,15)/t8-,9+/m1/s1
InChIKeyXDCPEAITKWRVEB-BDAKNGLRSA-N
MW241.29 g/mol
LogP1.93
Rot. Bonds2

About cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid

cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid (PubChem CID 5275680) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
PubChem CID5275680
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namecis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
SMILESC=C1C[C@H](NC(=O)OC(C)(C)C)[C@H](C(=O)O)C1
InChIInChI=1S/C12H19NO4/c1-7-5-8(10(14)15)9(6-7)13-11(16)17-12(2,3)4/h8-9H,1,5-6H2,2-4H3,(H,13,16)(H,14,15)/t8-,9+/m1/s1
InChIKeyXDCPEAITKWRVEB-BDAKNGLRSA-N
XLogP1.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic 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

(1S,2R)-2-(tert-Butoxycarbonylamino)cyclopentanecarboxylic acid
CID 1268163
(1R,2S)-2-(tert-Butoxycarbonylamino)cyclopentanecarboxylic acid
CID 1268160
(1R,2R)-2-(((tert-butoxy)carbonyl)amino)cyclopentane-1-carboxylic acid
CID 1268161
(1S,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
CID 1268162
(1R,2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-4-methylene-cyclopentanecarboxylic acid
CID 5275679
(1R,2S)-2-(ethylamino)-4-methylene-cyclopentanecarboxylic acid
CID 5275681
2-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid
CID 3564732
cis-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-difluoro-Cyclopentanecarboxylicacid
CID 126970441
(1S,2S)-2-(tert-butoxycarbonylamino)-3,3-difluoro-cyclopentanecarboxylic acid
CID 42640327
cis-2-((tert-Butoxycarbonyl)amino)-4,4-difluorocyclopentane-1-carboxylic acid
CID 54059793
2-((tert-Butoxycarbonyl)amino)-4,4-difluorocyclopentane-1-carboxylic acid
CID 54059794
cis-2-(Tert-butoxycarbonylamino)-4,4-difluoro-cyclopentanecarboxylic acid
CID 67778693

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid (CID 5275680) is cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid is C=C1C[C@H](NC(=O)OC(C)(C)C)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is XDCPEAITKWRVEB-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7-5-8(10(14)15)9(6-7)13-11(16)17-12(2,3)4/h8-9H,1,5-6H2,2-4H3,(H,13,16)(H,14,15)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 5275680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).