2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid

C13H17NO5 — CID 120976425

IUPAC2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(O)(CNC(=O)C1CCC1C(=O)O)c1ccco1
InChIInChI=1S/C13H17NO5/c1-13(18,10-3-2-6-19-10)7-14-11(15)8-4-5-9(8)12(16)17/h2-3,6,8-9,18H,4-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyITYPGXZKCBTLQB-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.71
Rot. Bonds5

About 2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976425) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976425
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(O)(CNC(=O)C1CCC1C(=O)O)c1ccco1
InChIInChI=1S/C13H17NO5/c1-13(18,10-3-2-6-19-10)7-14-11(15)8-4-5-9(8)12(16)17/h2-3,6,8-9,18H,4-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyITYPGXZKCBTLQB-UHFFFAOYSA-N
XLogP0.71
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 111482672
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-phenyloxamide
CID 71782588
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 97355222
N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 111482781
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-3-carboxamide
CID 111482746
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-[(2-methylcyclopropyl)methyl]guanidine
CID 119141865
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120976425) is 2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid is CC(O)(CNC(=O)C1CCC1C(=O)O)c1ccco1.
What is the InChIKey of 2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is ITYPGXZKCBTLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-13(18,10-3-2-6-19-10)7-14-11(15)8-4-5-9(8)12(16)17/h2-3,6,8-9,18H,4-5,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).