4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide

C9H18N2O2 — CID 114487035

IUPAC4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide
SMILESCOCC(C)C1CNCC1C(N)=O
InChIInChI=1S/C9H18N2O2/c1-6(5-13-2)7-3-11-4-8(7)9(10)12/h6-8,11H,3-5H2,1-2H3,(H2,10,12)
InChIKeyZYVASZJOPNRXPO-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.41
Rot. Bonds4

About 4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide

4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 114487035) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide
PubChem CID114487035
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide
SMILESCOCC(C)C1CNCC1C(N)=O
InChIInChI=1S/C9H18N2O2/c1-6(5-13-2)7-3-11-4-8(7)9(10)12/h6-8,11H,3-5H2,1-2H3,(H2,10,12)
InChIKeyZYVASZJOPNRXPO-UHFFFAOYSA-N
XLogP-0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methoxyethyl)pyrrolidine-3-carboxamide
CID 130972172
trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide
CID 124829798
methyl (3R,4R)-4-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
CID 72699098
methyl 4-pentan-3-ylpyrrolidine-3-carboxylate
CID 114486579
(3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 7146007
3-(1-methoxypropan-2-ylsulfonylmethyl)azetidine
CID 81197813
2-(1-methoxypropan-2-yl)cyclopentan-1-amine
CID 115625051
methyl (2S)-2-[[(3S,4S)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-3-carbonyl]amino]-4-methylpentanoate
CID 135210896
2-(azetidin-3-yl)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049010
(3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide
CID 106247472
5-(1-methoxypropan-2-yl)pyrrolidine-2-carboxylic acid
CID 112575064
methyl (2S)-2-[[(3R,4R)-4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-3-carbonyl]amino]-3-methylbutanoate
CID 163573089

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide (CID 114487035) is 4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide is COCC(C)C1CNCC1C(N)=O.
What is the InChIKey of 4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZYVASZJOPNRXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(5-13-2)7-3-11-4-8(7)9(10)12/h6-8,11H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of 4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide?
4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114487035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).