N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide

C10H17N3O3 — CID 70622201

IUPACN',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide
SMILESCN(C)C(=O)CC(C(N)=O)N1CCCC1=O
InChIInChI=1S/C10H17N3O3/c1-12(2)9(15)6-7(10(11)16)13-5-3-4-8(13)14/h7H,3-6H2,1-2H3,(H2,11,16)
InChIKeyRAYFTWQFQJMEGD-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.06
Rot. Bonds4

About N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide

N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide (PubChem CID 70622201) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide.

Molecular Properties

Compound NameN',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide
PubChem CID70622201
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide
SMILESCN(C)C(=O)CC(C(N)=O)N1CCCC1=O
InChIInChI=1S/C10H17N3O3/c1-12(2)9(15)6-7(10(11)16)13-5-3-4-8(13)14/h7H,3-6H2,1-2H3,(H2,11,16)
InChIKeyRAYFTWQFQJMEGD-UHFFFAOYSA-N
XLogP-1.06
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 14835914
2-(2-oxopyrrolidin-1-yl)pent-4-enamide
CID 70440707
methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 143300675
methyl (2S)-2-(2-oxopyrrolidin-1-yl)butanoate;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;(2R)-2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 161428490
2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide
CID 161254420
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
(2S)-2-hydroxy-2-phenylacetic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 139145126
(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 68508171
4-amino-4-oxo-2-(2-oxoazepan-1-yl)butanoic acid
CID 90741938
methyl 4-[3-(dimethylamino)-3-oxopropyl]sulfanyl-2-methyl-3-(2-oxopyrrolidin-1-yl)butanoate
CID 134509326
amino 2-(2-oxopyrrolidin-1-yl)pentanoate
CID 90161932

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide?
The IUPAC name of N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide (CID 70622201) is N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide.
What is the SMILES notation for N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide?
The canonical SMILES for N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide is CN(C)C(=O)CC(C(N)=O)N1CCCC1=O.
What is the InChIKey of N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide?
The InChIKey is RAYFTWQFQJMEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-12(2)9(15)6-7(10(11)16)13-5-3-4-8(13)14/h7H,3-6H2,1-2H3,(H2,11,16).
What are the key properties of N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide?
N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide has a molecular weight of 227.26 g/mol, XLogP of -1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide is sourced from PubChem (CID 70622201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).