1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

C12H19NO4 — CID 62096067

IUPAC1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CCC1)C1CCCO1
InChIInChI=1S/C12H19NO4/c1-8(9-4-2-7-17-9)13-10(14)12(11(15)16)5-3-6-12/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyAQNUKISCHRYUBV-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.93
Rot. Bonds4

About 1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62096067) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62096067
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CCC1)C1CCCO1
InChIInChI=1S/C12H19NO4/c1-8(9-4-2-7-17-9)13-10(14)12(11(15)16)5-3-6-12/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyAQNUKISCHRYUBV-UHFFFAOYSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80589003
1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
CID 76919474
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
CID 7346762
1-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728554
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 111438268
3-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119944639
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
(E)-4-oxo-4-[1-(oxolan-2-yl)ethylamino]but-2-enoic acid
CID 43533859
3-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 55164169
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
(1S,2S,3R,4R)-3-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11895759

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 62096067) is 1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is CC(NC(=O)C1(C(=O)O)CCC1)C1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is AQNUKISCHRYUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8(9-4-2-7-17-9)13-10(14)12(11(15)16)5-3-6-12/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62096067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).