2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

C11H19NO4 — CID 103977801

IUPAC2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCOCC(C)NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-7(6-16-2)12-10(13)8-4-3-5-9(8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNJPQFLNEBFNNCY-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.64
Rot. Bonds5

About 2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103977801) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103977801
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCOCC(C)NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-7(6-16-2)12-10(13)8-4-3-5-9(8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNJPQFLNEBFNNCY-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
(1S,6R)-6-(1-methoxypropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104961987
2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978652
2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103979109
2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978580
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid
CID 82706757
cis-(1S,2R)-2-[[(2S)-heptan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40579347
(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944312
2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 64603719
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103977801) is 2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is COCC(C)NC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is NJPQFLNEBFNNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(6-16-2)12-10(13)8-4-3-5-9(8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103977801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).