2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid

C10H12N2O2 — CID 117042628

IUPAC2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid
SMILESCN(c1ccncc1)C1CC1C(=O)O
InChIInChI=1S/C10H12N2O2/c1-12(7-2-4-11-5-3-7)9-6-8(9)10(13)14/h2-5,8-9H,6H2,1H3,(H,13,14)
InChIKeyZRHVYPFSNMVNTK-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.99
Rot. Bonds3

About 2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid

2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid (PubChem CID 117042628) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid
PubChem CID117042628
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid
SMILESCN(c1ccncc1)C1CC1C(=O)O
InChIInChI=1S/C10H12N2O2/c1-12(7-2-4-11-5-3-7)9-6-8(9)10(13)14/h2-5,8-9H,6H2,1H3,(H,13,14)
InChIKeyZRHVYPFSNMVNTK-UHFFFAOYSA-N
XLogP0.99
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1H-pyrrol-3-yl)amino]cyclopropane-1-carboxylic acid
CID 117042576
2-(N-methyl-4-propan-2-ylsulfanylanilino)cyclopropane-1-carboxylic acid
CID 117042598
2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid
CID 117042623
2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid
CID 117042642
carbonochloridic acid;N,N-dimethylpyridin-4-amine
CID 172753454
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850
methyl(pyridin-4-yl)carbamic acid
CID 54205463
2-(4-tert-butyl-N,2-dimethylanilino)cyclopropane-1-carboxylic acid
CID 117042600
2-[methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]cyclopropane-1-carboxylic acid
CID 117042610
4-[methyl-(3-nitro-4-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66235774
2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811
2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid
CID 117042658

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid (CID 117042628) is 2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid is CN(c1ccncc1)C1CC1C(=O)O.
What is the InChIKey of 2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is ZRHVYPFSNMVNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-12(7-2-4-11-5-3-7)9-6-8(9)10(13)14/h2-5,8-9H,6H2,1H3,(H,13,14).
What are the key properties of 2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid?
2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117042628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).