2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid

C18H31N3O4 — CID 119217371

IUPAC2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)NC2(CC(=O)O)CCC2)C1
InChIInChI=1S/C18H31N3O4/c1-13(2)11-19-17(25)21-8-3-5-14(12-21)9-15(22)20-18(6-4-7-18)10-16(23)24/h13-14H,3-12H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeyYAOIPZBUDDSVAX-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.97
Rot. Bonds7

About 2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid (PubChem CID 119217371) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid
PubChem CID119217371
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)NC2(CC(=O)O)CCC2)C1
InChIInChI=1S/C18H31N3O4/c1-13(2)11-19-17(25)21-8-3-5-14(12-21)9-15(22)20-18(6-4-7-18)10-16(23)24/h13-14H,3-12H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeyYAOIPZBUDDSVAX-UHFFFAOYSA-N
XLogP1.97
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid with MolForge

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Related Compounds

(3S,4S)-4-methyl-1-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120952869
3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120507437
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
(2S)-2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]hexanoic acid
CID 120615595
3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119418872
2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid
CID 119198157
3-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119617925
1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120539836
N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 119464761
2-chloro-4-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]benzoic acid
CID 119178936
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79842703

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid (CID 119217371) is 2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid is CC(C)CNC(=O)N1CCCC(CC(=O)NC2(CC(=O)O)CCC2)C1.
What is the InChIKey of 2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is YAOIPZBUDDSVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-13(2)11-19-17(25)21-8-3-5-14(12-21)9-15(22)20-18(6-4-7-18)10-16(23)24/h13-14H,3-12H2,1-2H3,(H,19,25)(H,20,22)(H,23,24).
What are the key properties of 2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 353.46 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).