3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

C12H21NO4 — CID 103550803

IUPAC3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC(COC)NC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-3-10(7-17-2)13-11(14)8-4-5-9(6-8)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyMYGFEHWIIUSDAS-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.03
Rot. Bonds6

About 3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103550803) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103550803
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC(COC)NC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-3-10(7-17-2)13-11(14)8-4-5-9(6-8)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyMYGFEHWIIUSDAS-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-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

3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551207
3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550835
(1S,6R)-6-(1-methoxybutan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962477
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64817719
(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
CID 120634648
cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284882
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
N-(1-bromo-3-methoxypropan-2-yl)cycloheptanecarboxamide
CID 106184471
N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide
CID 106182857
cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106155429
3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550244

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103550803) is 3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is CCC(COC)NC(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is MYGFEHWIIUSDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-10(7-17-2)13-11(14)8-4-5-9(6-8)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).