3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide

C8H16N4O2 — CID 131187067

IUPAC3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)NC1CCN(C(N)=O)C1
InChIInChI=1S/C8H16N4O2/c1-11(2)8(14)10-6-3-4-12(5-6)7(9)13/h6H,3-5H2,1-2H3,(H2,9,13)(H,10,14)
InChIKeyPVKIVHVCLQVZIM-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.59
Rot. Bonds1

About 3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide

3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide (PubChem CID 131187067) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide
PubChem CID131187067
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)NC1CCN(C(N)=O)C1
InChIInChI=1S/C8H16N4O2/c1-11(2)8(14)10-6-3-4-12(5-6)7(9)13/h6H,3-5H2,1-2H3,(H2,9,13)(H,10,14)
InChIKeyPVKIVHVCLQVZIM-UHFFFAOYSA-N
XLogP-0.59
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
tert-butyl (3S)-3-(dimethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 129379096
3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide
CID 131036642
3-[(2-chloroacetyl)amino]pyrrolidine-1-carboxamide
CID 130678398
3-(prop-2-enoylamino)pyrrolidine-1-carboxamide
CID 130617016
4-(methylamino)piperidine-1-carboxamide
CID 43754889
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
3-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]-1,1-dimethylurea
CID 154737969
1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea
CID 167933678
(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
CID 70098972
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide (CID 131187067) is 3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide is CN(C)C(=O)NC1CCN(C(N)=O)C1.
What is the InChIKey of 3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide?
The InChIKey is PVKIVHVCLQVZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-11(2)8(14)10-6-3-4-12(5-6)7(9)13/h6H,3-5H2,1-2H3,(H2,9,13)(H,10,14).
What are the key properties of 3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide?
3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 131187067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).