1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid

C11H19NO4 — CID 81362446

IUPAC1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCOCCC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C11H19NO4/c1-16-7-4-9(13)12-8-11(10(14)15)5-2-3-6-11/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyMNCKRKVOTQVIOB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds6

About 1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid

1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 81362446) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID81362446
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCOCCC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C11H19NO4/c1-16-7-4-9(13)12-8-11(10(14)15)5-2-3-6-11/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyMNCKRKVOTQVIOB-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxybutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362249
1-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81361985
1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449369
1-[[(2-methoxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435584
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide
CID 80708553
1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432964
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[(4-methoxybutanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440871
1-[(3-methylsulfanylpropanoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443463
1-[[[2-methoxyethyl(methyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444756
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid (CID 81362446) is 1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid is COCCC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is MNCKRKVOTQVIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-16-7-4-9(13)12-8-11(10(14)15)5-2-3-6-11/h2-8H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81362446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).