2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid

C15H21N3O3 — CID 79842224

IUPAC2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCCN(Cc1ccncc1)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H21N3O3/c1-2-18(11-12-4-8-16-9-5-12)14(21)17-15(6-3-7-15)10-13(19)20/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyFDOCMMXWOPTXLF-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.01
Rot. Bonds6

About 2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79842224) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79842224
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCCN(Cc1ccncc1)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H21N3O3/c1-2-18(11-12-4-8-16-9-5-12)14(21)17-15(6-3-7-15)10-13(19)20/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyFDOCMMXWOPTXLF-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclopentyl]acetic acid
CID 64672788
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
2-[1-[[ethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845178
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
CID 64672336
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61449719
2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 79385482
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700831
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756242

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 79842224) is 2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid is CCN(Cc1ccncc1)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is FDOCMMXWOPTXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-18(11-12-4-8-16-9-5-12)14(21)17-15(6-3-7-15)10-13(19)20/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).