2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C14H18N2O3 — CID 64835828

IUPAC2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cccnc1CNC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C14H18N2O3/c1-8-5-4-6-15-9(8)7-16-12(17)10-11(13(18)19)14(10,2)3/h4-6,10-11H,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyJUIRWWQQMSRZDI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.36
Rot. Bonds4

About 2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 64835828) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID64835828
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cccnc1CNC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C14H18N2O3/c1-8-5-4-6-15-9(8)7-16-12(17)10-11(13(18)19)14(10,2)3/h4-6,10-11H,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyJUIRWWQQMSRZDI-UHFFFAOYSA-N
XLogP1.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
trans-(1S,3S)-2,2-dimethyl-3-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 52902154
2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 64822512
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63309326
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
cis-(1S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122112666
cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106414836
1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869384
2,2-dimethyl-3-(2-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835010
1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide
CID 73440375
2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815795
3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
CID 63309087

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 64835828) is 2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is Cc1cccnc1CNC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is JUIRWWQQMSRZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-5-4-6-15-9(8)7-16-12(17)10-11(13(18)19)14(10,2)3/h4-6,10-11H,7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).