formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide

C14H26N2O4 — CID 154907115

IUPACformic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide
SMILESCOCCC(=O)NCC1(CN2CCCC2)CC1.O=CO
InChIInChI=1S/C13H24N2O2.CH2O2/c1-17-9-4-12(16)14-10-13(5-6-13)11-15-7-2-3-8-15;2-1-3/h2-11H2,1H3,(H,14,16);1H,(H,2,3)
InChIKeyAZFDLOVXAWKXOQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.72
Rot. Bonds7

About formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide

formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide (PubChem CID 154907115) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Nameformic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide
PubChem CID154907115
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameformic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide
SMILESCOCCC(=O)NCC1(CN2CCCC2)CC1.O=CO
InChIInChI=1S/C13H24N2O2.CH2O2/c1-17-9-4-12(16)14-10-13(5-6-13)11-15-7-2-3-8-15;2-1-3/h2-11H2,1H3,(H,14,16);1H,(H,2,3)
InChIKeyAZFDLOVXAWKXOQ-UHFFFAOYSA-N
XLogP0.72
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide
CID 80708553
1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362446
2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 125448539
1-[(4-methoxybutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362249
4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid
CID 154909057
2-(2-methoxyethylamino)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]acetamide
CID 119812143
2-(cyclopropylmethylamino)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 114112932
4-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]butanamide;hydrochloride
CID 119339921
1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449369
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103801700
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methoxyethyl)acetamide
CID 113293821

Frequently Asked Questions

What is the IUPAC name of formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide (CID 154907115) is formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide is COCCC(=O)NCC1(CN2CCCC2)CC1.O=CO.
What is the InChIKey of formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide?
The InChIKey is AZFDLOVXAWKXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.CH2O2/c1-17-9-4-12(16)14-10-13(5-6-13)11-15-7-2-3-8-15;2-1-3/h2-11H2,1H3,(H,14,16);1H,(H,2,3).
What are the key properties of formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide?
formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide has a molecular weight of 286.37 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 154907115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).