1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

C14H19N3O3 — CID 115451209

IUPAC1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(CCc1ccccn1)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-17(9-5-11-4-2-3-8-15-11)13(20)16-10-14(6-7-14)12(18)19/h2-4,8H,5-7,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyCJGAITHDRCPFRF-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.13
Rot. Bonds6

About 1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451209) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451209
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(CCc1ccccn1)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-17(9-5-11-4-2-3-8-15-11)13(20)16-10-14(6-7-14)12(18)19/h2-4,8H,5-7,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyCJGAITHDRCPFRF-UHFFFAOYSA-N
XLogP1.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446462
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694
1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435618
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
1-[[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434442
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
CID 61196298
1-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 119873315
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 111507290
1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone
CID 106796916

Frequently Asked Questions

What is the IUPAC name of 1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115451209) is 1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is CN(CCc1ccccn1)C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is CJGAITHDRCPFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17(9-5-11-4-2-3-8-15-11)13(20)16-10-14(6-7-14)12(18)19/h2-4,8H,5-7,9-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).