N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C11H19N3O3 — CID 62371580

IUPACN-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(CO)C1)NC(=O)NC1CC1
InChIInChI=1S/C11H19N3O3/c15-7-8-3-4-14(5-8)6-10(16)13-11(17)12-9-1-2-9/h8-9,15H,1-7H2,(H2,12,13,16,17)
InChIKeyQNBLJLOIRHVQCR-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.71
Rot. Bonds4

About N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 62371580) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID62371580
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(CO)C1)NC(=O)NC1CC1
InChIInChI=1S/C11H19N3O3/c15-7-8-3-4-14(5-8)6-10(16)13-11(17)12-9-1-2-9/h8-9,15H,1-7H2,(H2,12,13,16,17)
InChIKeyQNBLJLOIRHVQCR-UHFFFAOYSA-N
XLogP-0.71
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115647897
2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690284
N-(cyclopropylcarbamoyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898008
N-(cyclopropylcarbamoyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131574
N-(cyclopropylcarbamoyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914633
2-[(3R)-3-aminopiperidin-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 102977459
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 114961027
2-(4-aminopiperidin-1-yl)-N-(cyclohexylcarbamoyl)acetamide
CID 43556566
N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905800
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162505
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-(cyclopropylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17421099

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 62371580) is N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCC(CO)C1)NC(=O)NC1CC1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is QNBLJLOIRHVQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-7-8-3-4-14(5-8)6-10(16)13-11(17)12-9-1-2-9/h8-9,15H,1-7H2,(H2,12,13,16,17).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 241.29 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 62371580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).