1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid

C14H19N3O3 — CID 115446334

IUPAC1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCCc1ccccn1)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H19N3O3/c18-12(19)14(6-3-7-14)10-17-13(20)16-9-5-11-4-1-2-8-15-11/h1-2,4,8H,3,5-7,9-10H2,(H,18,19)(H2,16,17,20)
InChIKeyCDZPHIJUJFPQBB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.18
Rot. Bonds6

About 1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid

1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446334) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115446334
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCCc1ccccn1)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H19N3O3/c18-12(19)14(6-3-7-14)10-17-13(20)16-9-5-11-4-1-2-8-15-11/h1-2,4,8H,3,5-7,9-10H2,(H,18,19)(H2,16,17,20)
InChIKeyCDZPHIJUJFPQBB-UHFFFAOYSA-N
XLogP1.18
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294
1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435618
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
CID 81166918
1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311421
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
6-(2-pyridin-2-ylethylcarbamoylamino)hexanoic acid
CID 61185229
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
1-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106404307
1-[[2-(3-methylphenyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446754

Frequently Asked Questions

What is the IUPAC name of 1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid (CID 115446334) is 1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid is O=C(NCCc1ccccn1)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is CDZPHIJUJFPQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12(19)14(6-3-7-14)10-17-13(20)16-9-5-11-4-1-2-8-15-11/h1-2,4,8H,3,5-7,9-10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).