2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid

C11H15NO4 — CID 107432446

IUPAC2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid
SMILESNC1CCC(O)(c2occc2C(=O)O)CC1
InChIInChI=1S/C11H15NO4/c12-7-1-4-11(15,5-2-7)9-8(10(13)14)3-6-16-9/h3,6-7,15H,1-2,4-5,12H2,(H,13,14)
InChIKeyMRQICJAYUMMFQL-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.07
Rot. Bonds2

About 2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid

2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid (PubChem CID 107432446) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid
PubChem CID107432446
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid
SMILESNC1CCC(O)(c2occc2C(=O)O)CC1
InChIInChI=1S/C11H15NO4/c12-7-1-4-11(15,5-2-7)9-8(10(13)14)3-6-16-9/h3,6-7,15H,1-2,4-5,12H2,(H,13,14)
InChIKeyMRQICJAYUMMFQL-UHFFFAOYSA-N
XLogP1.07
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid
CID 107432289
2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid
CID 107432327
2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid
CID 107432569
2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid
CID 126981374
2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid
CID 107432685
2-(1-hydroxy-3,3,5-trimethylcyclohexyl)furan-3-carboxylic acid
CID 107431944
4-amino-1-phenylcyclohexan-1-ol
CID 3039766
4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine
CID 112562517
N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide
CID 79115766
2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid
CID 107432001
4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
CID 83707122
(1,4-diaminocyclohexyl)-phenylmethanone
CID 141353402

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid?
The IUPAC name of 2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid (CID 107432446) is 2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid is NC1CCC(O)(c2occc2C(=O)O)CC1.
What is the InChIKey of 2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid?
The InChIKey is MRQICJAYUMMFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c12-7-1-4-11(15,5-2-7)9-8(10(13)14)3-6-16-9/h3,6-7,15H,1-2,4-5,12H2,(H,13,14).
What are the key properties of 2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid?
2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid is sourced from PubChem (CID 107432446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).