formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine

C8H18N2O3 — CID 174841555

IUPACformic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine
SMILESCOC1CCCN1CCN.O=CO
InChIInChI=1S/C7H16N2O.CH2O2/c1-10-7-3-2-5-9(7)6-4-8;2-1-3/h7H,2-6,8H2,1H3;1H,(H,2,3)
InChIKeyBCORVZPWSQSBPI-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.29
Rot. Bonds3

About formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine

formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine (PubChem CID 174841555) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Nameformic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine
PubChem CID174841555
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Nameformic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine
SMILESCOC1CCCN1CCN.O=CO
InChIInChI=1S/C7H16N2O.CH2O2/c1-10-7-3-2-5-9(7)6-4-8;2-1-3/h7H,2-6,8H2,1H3;1H,(H,2,3)
InChIKeyBCORVZPWSQSBPI-UHFFFAOYSA-N
XLogP-0.29
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.29
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

(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine
CID 138507133
2-(2-aminoethyl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol
CID 164653123
methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
CID 15879442
2-methoxypyrrolidin-1-amine
CID 67193307
N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 66567395
2-[2-[(cyclopentylmethylamino)methyl]piperidin-1-yl]ethanamine
CID 19845944
2-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 51657078
1-(2-methoxypyrrolidin-1-yl)-4-pyrrolidin-1-ylbutane-1,4-dione
CID 123854440
ethane;1-ethyl-3-methoxypyrrolidine;formic acid
CID 162750687
2-methoxy-1-sulfanylpyrrolidine
CID 173178094

Frequently Asked Questions

What is the IUPAC name of formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine?
The IUPAC name of formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine (CID 174841555) is formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine.
What is the SMILES notation for formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine?
The canonical SMILES for formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine is COC1CCCN1CCN.O=CO.
What is the InChIKey of formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine?
The InChIKey is BCORVZPWSQSBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.CH2O2/c1-10-7-3-2-5-9(7)6-4-8;2-1-3/h7H,2-6,8H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine?
formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine has a molecular weight of 190.24 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 174841555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).