2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid

C14H23N3O4 — CID 79842455

IUPAC2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
SMILESCC1CCC(C(N)=O)CN1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H23N3O4/c1-9-3-4-10(12(15)20)8-17(9)13(21)16-14(5-2-6-14)7-11(18)19/h9-10H,2-8H2,1H3,(H2,15,20)(H,16,21)(H,18,19)
InChIKeyXPVPSLYXDYTISK-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.68
Rot. Bonds4

About 2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79842455) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID79842455
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
SMILESCC1CCC(C(N)=O)CN1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H23N3O4/c1-9-3-4-10(12(15)20)8-17(9)13(21)16-14(5-2-6-14)7-11(18)19/h9-10H,2-8H2,1H3,(H2,15,20)(H,16,21)(H,18,19)
InChIKeyXPVPSLYXDYTISK-UHFFFAOYSA-N
XLogP0.68
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-6-methylpiperidine-1,3-dicarboxamide
CID 115635337
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid
CID 64701697
2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 81475038
2-[1-[(3-methylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64701330
2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79846736
3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897663
2-[1-[(2,6-dimethylmorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64700428
1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide
CID 80597477
ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
CID 61067923
1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide
CID 61173936

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid (CID 79842455) is 2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid is CC1CCC(C(N)=O)CN1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is XPVPSLYXDYTISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9-3-4-10(12(15)20)8-17(9)13(21)16-14(5-2-6-14)7-11(18)19/h9-10H,2-8H2,1H3,(H2,15,20)(H,16,21)(H,18,19).
What are the key properties of 2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 297.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-carbamoyl-2-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).