cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C15H21N3O3 — CID 122066365

IUPACcis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCN(C)c1cccc(CNC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)n1
InChIInChI=1S/C15H21N3O3/c1-15(2)11(12(15)14(20)21)13(19)16-8-9-6-5-7-10(17-9)18(3)4/h5-7,11-12H,8H2,1-4H3,(H,16,19)(H,20,21)/t11-,12+/m0/s1
InChIKeyLZTROIRORFEREZ-NWDGAFQWSA-N
MW291.35 g/mol
LogP1.12
Rot. Bonds5

About cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 122066365) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID122066365
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namecis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCN(C)c1cccc(CNC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)n1
InChIInChI=1S/C15H21N3O3/c1-15(2)11(12(15)14(20)21)13(19)16-8-9-6-5-7-10(17-9)18(3)4/h5-7,11-12H,8H2,1-4H3,(H,16,19)(H,20,21)/t11-,12+/m0/s1
InChIKeyLZTROIRORFEREZ-NWDGAFQWSA-N
XLogP1.12
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 122066365) is cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CN(C)c1cccc(CNC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)n1.
What is the InChIKey of cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is LZTROIRORFEREZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2)11(12(15)14(20)21)13(19)16-8-9-6-5-7-10(17-9)18(3)4/h5-7,11-12H,8H2,1-4H3,(H,16,19)(H,20,21)/t11-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 122066365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).