2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

C12H21NO5 — CID 114390553

IUPAC2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCCOCCO)C1
InChIInChI=1S/C12H21NO5/c1-8-6-9(10(7-8)12(16)17)11(15)13-2-4-18-5-3-14/h8-10,14H,2-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyWQDDEDSTZDPVTI-UHFFFAOYSA-N
MW259.30 g/mol
LogP-0.14
Rot. Bonds7

About 2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114390553) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114390553
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCCOCCO)C1
InChIInChI=1S/C12H21NO5/c1-8-6-9(10(7-8)12(16)17)11(15)13-2-4-18-5-3-14/h8-10,14H,2-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyWQDDEDSTZDPVTI-UHFFFAOYSA-N
XLogP-0.14
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61171060
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371
2-(2-ethoxyethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511477
cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106234746
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
CID 154975000
(1S,6R)-6-[3-(2-hydroxyethoxy)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114171113
6-[3-(2-hydroxyethoxy)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106305133
4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114390885
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092285
2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106003676
cis-(1R,2S)-2-[(2-ethyl-4-hydroxybutyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092602

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114390553) is 2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NCCOCCO)C1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is WQDDEDSTZDPVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-8-6-9(10(7-8)12(16)17)11(15)13-2-4-18-5-3-14/h8-10,14H,2-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).