2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid

C13H17N3O4 — CID 79845469

IUPAC2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid
SMILESCOc1ccc(NC(=O)NC2(CC(=O)O)CCC2)cn1
InChIInChI=1S/C13H17N3O4/c1-20-10-4-3-9(8-14-10)15-12(19)16-13(5-2-6-13)7-11(17)18/h3-4,8H,2,5-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyKWYZRSCIGWJWRU-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.61
Rot. Bonds5

About 2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid

2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid (PubChem CID 79845469) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid
PubChem CID79845469
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid
SMILESCOc1ccc(NC(=O)NC2(CC(=O)O)CCC2)cn1
InChIInChI=1S/C13H17N3O4/c1-20-10-4-3-9(8-14-10)15-12(19)16-13(5-2-6-13)7-11(17)18/h3-4,8H,2,5-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyKWYZRSCIGWJWRU-UHFFFAOYSA-N
XLogP1.61
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851631
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
1-(aminomethyl)-N-(6-methoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 55037854
2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
CID 62695460
2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 66355460
ethyl 2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetate
CID 43385059
4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
CID 61188024
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 82847806
1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94028409

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid (CID 79845469) is 2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid is COc1ccc(NC(=O)NC2(CC(=O)O)CCC2)cn1.
What is the InChIKey of 2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid?
The InChIKey is KWYZRSCIGWJWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-20-10-4-3-9(8-14-10)15-12(19)16-13(5-2-6-13)7-11(17)18/h3-4,8H,2,5-7H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid?
2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).