4-(1-methoxyethyl)pyrrolidine-3-carboxamide

C8H16N2O2 — CID 130972172

IUPAC4-(1-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCOC(C)C1CNCC1C(N)=O
InChIInChI=1S/C8H16N2O2/c1-5(12-2)6-3-10-4-7(6)8(9)11/h5-7,10H,3-4H2,1-2H3,(H2,9,11)
InChIKeyNDRDCIFTTFBMON-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.66
Rot. Bonds3

About 4-(1-methoxyethyl)pyrrolidine-3-carboxamide

4-(1-methoxyethyl)pyrrolidine-3-carboxamide (PubChem CID 130972172) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(1-methoxyethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(1-methoxyethyl)pyrrolidine-3-carboxamide
PubChem CID130972172
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(1-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCOC(C)C1CNCC1C(N)=O
InChIInChI=1S/C8H16N2O2/c1-5(12-2)6-3-10-4-7(6)8(9)11/h5-7,10H,3-4H2,1-2H3,(H2,9,11)
InChIKeyNDRDCIFTTFBMON-UHFFFAOYSA-N
XLogP-0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-methoxyethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide
CID 114487035
methyl (3R,4R)-4-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
CID 72699098
(3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 7146007
4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 53398420
methyl 4-pentan-3-ylpyrrolidine-3-carboxylate
CID 114486579
methyl (2S)-2-[[(3R,4R)-4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-3-carbonyl]amino]-3-methylbutanoate
CID 163573089
4-cycloheptylpyrrolidine-3-carboxamide
CID 114487061
trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide
CID 130399557
4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 114487125
[(3R,4R)-4-(dimethoxymethyl)pyrrolidin-3-yl]carbamic acid
CID 90406503
methyl (2S)-2-[[(3S,4S)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-3-carbonyl]amino]-4-methylpentanoate
CID 135210896
4-pentan-3-ylpyrrolidine-3-carboxylic acid
CID 63940760

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-(1-methoxyethyl)pyrrolidine-3-carboxamide (CID 130972172) is 4-(1-methoxyethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(1-methoxyethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-(1-methoxyethyl)pyrrolidine-3-carboxamide is COC(C)C1CNCC1C(N)=O.
What is the InChIKey of 4-(1-methoxyethyl)pyrrolidine-3-carboxamide?
The InChIKey is NDRDCIFTTFBMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5(12-2)6-3-10-4-7(6)8(9)11/h5-7,10H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of 4-(1-methoxyethyl)pyrrolidine-3-carboxamide?
4-(1-methoxyethyl)pyrrolidine-3-carboxamide has a molecular weight of 172.23 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 130972172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).