3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid

C11H17NO6 — CID 107214937

IUPAC3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOC(=O)C(O)CNC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C11H17NO6/c1-18-11(17)8(13)5-12-9(14)6-2-3-7(4-6)10(15)16/h6-8,13H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyXOCOPRLQQPSWGP-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.86
Rot. Bonds5

About 3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 107214937) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID107214937
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOC(=O)C(O)CNC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C11H17NO6/c1-18-11(17)8(13)5-12-9(14)6-2-3-7(4-6)10(15)16/h6-8,13H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyXOCOPRLQQPSWGP-UHFFFAOYSA-N
XLogP-0.86
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate
CID 103958175
3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551301
cis-(1S,3R)-3-[(2-hydroxy-4,4-dimethylpentyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093202
methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate
CID 107222681
methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2-hydroxypropanoate
CID 103879591
3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63783173
methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate
CID 103958143
3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114129707
3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551165
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
cis-(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
CID 10888375
methyl 3-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxypropanoate
CID 103491118

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 107214937) is 3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid is COC(=O)C(O)CNC(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is XOCOPRLQQPSWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6/c1-18-11(17)8(13)5-12-9(14)6-2-3-7(4-6)10(15)16/h6-8,13H,2-5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107214937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).