1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid

C13H23NO4 — CID 115432964

IUPAC1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOCC(C)CC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO4/c1-10(8-18-2)7-11(15)14-9-13(12(16)17)5-3-4-6-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQLDRNYOIWCPSFX-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.42
Rot. Bonds7

About 1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115432964) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115432964
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOCC(C)CC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO4/c1-10(8-18-2)7-11(15)14-9-13(12(16)17)5-3-4-6-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQLDRNYOIWCPSFX-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114873836
1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81367949
1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362446
1-[[(2-methoxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435584
1-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81361985
1-[(4-methoxybutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362249
1-[(3,4,4-trimethylpentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362424
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[[(6-amino-4-methylhexanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433630
1-[(methoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 23530558
4-[(3-methylhexanoylamino)methyl]oxane-4-carboxylic acid
CID 120542139
1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449369

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 115432964) is 1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid is COCC(C)CC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is QLDRNYOIWCPSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10(8-18-2)7-11(15)14-9-13(12(16)17)5-3-4-6-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115432964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).