cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid

C15H20N2O4 — CID 166284882

IUPACcis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)O)C1)c1ccccn1
InChIInChI=1S/C15H20N2O4/c1-21-9-13(12-4-2-3-7-16-12)17-14(18)10-5-6-11(8-10)15(19)20/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,17,18)(H,19,20)/t10-,11+,13+/m1/s1
InChIKeyLOJVUDPSCCHYLH-MDZLAQPJSA-N
MW292.33 g/mol
LogP1.39
Rot. Bonds6

About cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 166284882) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID166284882
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namecis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)O)C1)c1ccccn1
InChIInChI=1S/C15H20N2O4/c1-21-9-13(12-4-2-3-7-16-12)17-14(18)10-5-6-11(8-10)15(19)20/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,17,18)(H,19,20)/t10-,11+,13+/m1/s1
InChIKeyLOJVUDPSCCHYLH-MDZLAQPJSA-N
XLogP1.39
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
CID 125437016
N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018
2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 122556683
3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550803
3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550835
3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030429
N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide
CID 122559880
3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407435
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-2-ylacetamide
CID 125441536
N-(2-methoxy-1-pyridin-2-ylethyl)-2-pyridin-3-ylacetamide
CID 91774617
3-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 154848001

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 166284882) is cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid is COC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)O)C1)c1ccccn1.
What is the InChIKey of cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is LOJVUDPSCCHYLH-MDZLAQPJSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-9-13(12-4-2-3-7-16-12)17-14(18)10-5-6-11(8-10)15(19)20/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,17,18)(H,19,20)/t10-,11+,13+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 166284882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).