N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide

C9H17N3O2 — CID 106187640

IUPACN-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC1CNC(=O)C1
InChIInChI=1S/C9H17N3O2/c1-6(2)10-5-9(14)12-7-3-8(13)11-4-7/h6-7,10H,3-5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyHOMHDKNGFFWMNO-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.01
Rot. Bonds4

About N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide

N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide (PubChem CID 106187640) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide
PubChem CID106187640
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC1CNC(=O)C1
InChIInChI=1S/C9H17N3O2/c1-6(2)10-5-9(14)12-7-3-8(13)11-4-7/h6-7,10H,3-5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyHOMHDKNGFFWMNO-UHFFFAOYSA-N
XLogP-1.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106197992
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
5-amino-N-(5-oxopyrrolidin-3-yl)hexanamide
CID 106187716
3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187621
4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide
CID 114155694
3-(ethylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187570
(2R)-2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187627
3-(tert-butylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187499
(2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane
CID 144964552
N-(5-oxopyrrolidin-3-yl)-3-piperidin-1-ylpropanamide
CID 112534676
4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 106192096
4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156262

Frequently Asked Questions

What is the IUPAC name of N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide (CID 106187640) is N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NC1CNC(=O)C1.
What is the InChIKey of N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide?
The InChIKey is HOMHDKNGFFWMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(2)10-5-9(14)12-7-3-8(13)11-4-7/h6-7,10H,3-5H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide?
N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide has a molecular weight of 199.25 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 106187640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).