1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid

C10H17NO4 — CID 115449369

IUPAC1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCOCCCC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-15-6-2-3-8(12)11-7-10(4-5-10)9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyYZLBIJZXGXHWLR-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds7

About 1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid

1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449369) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115449369
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCOCCCC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-15-6-2-3-8(12)11-7-10(4-5-10)9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyYZLBIJZXGXHWLR-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxybutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362249
1-[(4-methoxybutanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440871
1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362446
1-[(4-methoxybutylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451502
1-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81361985
1-[[4-(4-bromophenoxy)butanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449683
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide
CID 80708553
1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450682
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774
1-[[(2-methoxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435584
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid (CID 115449369) is 1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid is COCCCC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is YZLBIJZXGXHWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-15-6-2-3-8(12)11-7-10(4-5-10)9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).