N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C10H16N2O3 — CID 115877696

IUPACN-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2(CO)CC2)CC1=O
InChIInChI=1S/C10H16N2O3/c1-12-5-7(4-8(12)14)9(15)11-10(6-13)2-3-10/h7,13H,2-6H2,1H3,(H,11,15)
InChIKeyVZUOXYYURPTUAG-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.89
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 115877696) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID115877696
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2(CO)CC2)CC1=O
InChIInChI=1S/C10H16N2O3/c1-12-5-7(4-8(12)14)9(15)11-10(6-13)2-3-10/h7,13H,2-6H2,1H3,(H,11,15)
InChIKeyVZUOXYYURPTUAG-UHFFFAOYSA-N
XLogP-0.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 62519112
1-cyclopentyl-N-[1-(hydroxymethyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide
CID 115772388
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
1-cyclopentyl-N-[1-(hydroxymethyl)cyclobutyl]-5-oxopyrrolidine-3-carboxamide
CID 115877939
N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 104981078
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435852
3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43354000
(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 104965003
2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 79807238
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 107362651

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 115877696) is N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NC2(CO)CC2)CC1=O.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VZUOXYYURPTUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-12-5-7(4-8(12)14)9(15)11-10(6-13)2-3-10/h7,13H,2-6H2,1H3,(H,11,15).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 115877696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).