1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

C15H21N3O3 — CID 115446462

IUPAC1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCN(CCc1ccncc1)C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C15H21N3O3/c1-18(10-5-12-3-8-16-9-4-12)14(21)17-11-15(13(19)20)6-2-7-15/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyCNSDHIBFAXJDCA-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.52
Rot. Bonds6

About 1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446462) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115446462
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCN(CCc1ccncc1)C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C15H21N3O3/c1-18(10-5-12-3-8-16-9-4-12)14(21)17-11-15(13(19)20)6-2-7-15/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyCNSDHIBFAXJDCA-UHFFFAOYSA-N
XLogP1.52
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434442
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
1-[(2-pyridin-4-ylethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246621
1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271764
1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309363
(2S)-2-hydroxy-3-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 107838620
1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436939
3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 113214800
1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436923
1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436956

Frequently Asked Questions

What is the IUPAC name of 1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 115446462) is 1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is CN(CCc1ccncc1)C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is CNSDHIBFAXJDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(10-5-12-3-8-16-9-4-12)14(21)17-11-15(13(19)20)6-2-7-15/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.52, 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-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).