1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid

C10H11N3O3 — CID 62095217

IUPAC1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ncccn2)CCC1
InChIInChI=1S/C10H11N3O3/c14-7(10(8(15)16)3-1-4-10)13-9-11-5-2-6-12-9/h2,5-6H,1,3-4H2,(H,15,16)(H,11,12,13,14)
InChIKeyHOCSXVJPQYOPGC-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.67
Rot. Bonds3

About 1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid

1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 62095217) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID62095217
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ncccn2)CCC1
InChIInChI=1S/C10H11N3O3/c14-7(10(8(15)16)3-1-4-10)13-9-11-5-2-6-12-9/h2,5-6H,1,3-4H2,(H,15,16)(H,11,12,13,14)
InChIKeyHOCSXVJPQYOPGC-UHFFFAOYSA-N
XLogP0.67
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79044431
1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095693
1-[(2-methyl-4-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79240228
1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095862
1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 65481473
1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284946
1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide
CID 122146724
1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096249
1-[(2,3-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095401
4-amino-N-pyrimidin-2-yloxane-4-carboxamide
CID 115293590
1-(pyrimidin-2-ylamino)cycloheptane-1-carboxylic acid
CID 61291427
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694

Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid (CID 62095217) is 1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2ncccn2)CCC1.
What is the InChIKey of 1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is HOCSXVJPQYOPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-7(10(8(15)16)3-1-4-10)13-9-11-5-2-6-12-9/h2,5-6H,1,3-4H2,(H,15,16)(H,11,12,13,14).
What are the key properties of 1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62095217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).