2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid

C14H24N2O4 — CID 79846736

IUPAC2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2CCCCC2CCO)CCC1
InChIInChI=1S/C14H24N2O4/c17-9-5-11-4-1-2-8-16(11)13(20)15-14(6-3-7-14)10-12(18)19/h11,17H,1-10H2,(H,15,20)(H,18,19)
InChIKeyUTXMJSKJCUEJAF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.33
Rot. Bonds5

About 2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 79846736) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID79846736
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2CCCCC2CCO)CCC1
InChIInChI=1S/C14H24N2O4/c17-9-5-11-4-1-2-8-16(11)13(20)15-14(6-3-7-14)10-12(18)19/h11,17H,1-10H2,(H,15,20)(H,18,19)
InChIKeyUTXMJSKJCUEJAF-UHFFFAOYSA-N
XLogP1.33
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79851933
2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid
CID 126448398
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43445645
4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115292816
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 113485751
2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
CID 113485792
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-(1-aminocyclopentyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 64684748
2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 102865457

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid (CID 79846736) is 2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)N2CCCCC2CCO)CCC1.
What is the InChIKey of 2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is UTXMJSKJCUEJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-9-5-11-4-1-2-8-16(11)13(20)15-14(6-3-7-14)10-12(18)19/h11,17H,1-10H2,(H,15,20)(H,18,19).
What are the key properties of 2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).