cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C13H22N2O3 — CID 106019178

IUPACcis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN1CCCC1CNC(=O)[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-15-6-2-3-11(15)8-14-12(16)9-4-5-10(7-9)13(17)18/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18)/t9-,10+,11?/m1/s1
InChIKeyNRCKPSSFBPQRHA-JKIOLJMWSA-N
MW254.33 g/mol
LogP0.70
Rot. Bonds4

About cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106019178) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106019178
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namecis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN1CCCC1CNC(=O)[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-15-6-2-3-11(15)8-14-12(16)9-4-5-10(7-9)13(17)18/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18)/t9-,10+,11?/m1/s1
InChIKeyNRCKPSSFBPQRHA-JKIOLJMWSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026312
5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026289
3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
CID 114138626
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103630206
3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789913
2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid
CID 106020947
3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549965
3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551165
1-amino-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814042

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 106019178) is cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is CN1CCCC1CNC(=O)[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is NRCKPSSFBPQRHA-JKIOLJMWSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-15-6-2-3-11(15)8-14-12(16)9-4-5-10(7-9)13(17)18/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18)/t9-,10+,11?/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106019178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).