1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid

C12H21N3O4 — CID 113364443

IUPAC1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCNC(=O)C(C)(C)CNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H21N3O4/c1-12(2,10(18)13-3)7-14-11(19)15-6-4-5-8(15)9(16)17/h8H,4-7H2,1-3H3,(H,13,18)(H,14,19)(H,16,17)
InChIKeyCSWSYGFNKZWMIQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.02
Rot. Bonds4

About 1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid

1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 113364443) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID113364443
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCNC(=O)C(C)(C)CNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H21N3O4/c1-12(2,10(18)13-3)7-14-11(19)15-6-4-5-8(15)9(16)17/h8H,4-7H2,1-3H3,(H,13,18)(H,14,19)(H,16,17)
InChIKeyCSWSYGFNKZWMIQ-UHFFFAOYSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61181569
(2R)-1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923191
1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63860599
1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192237
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66175944
1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350073
(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 55151526
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174648

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 113364443) is 1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid is CNC(=O)C(C)(C)CNC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CSWSYGFNKZWMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-12(2,10(18)13-3)7-14-11(19)15-6-4-5-8(15)9(16)17/h8H,4-7H2,1-3H3,(H,13,18)(H,14,19)(H,16,17).
What are the key properties of 1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 113364443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).