1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C14H24N2O3 — CID 79350073

IUPAC1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C)C(CNC(=O)N2CCCC2C(=O)O)C1(C)C
InChIInChI=1S/C14H24N2O3/c1-13(2)10(14(13,3)4)8-15-12(19)16-7-5-6-9(16)11(17)18/h9-10H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyVHAMDTMOCDWUJU-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.93
Rot. Bonds3

About 1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 79350073) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID79350073
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C)C(CNC(=O)N2CCCC2C(=O)O)C1(C)C
InChIInChI=1S/C14H24N2O3/c1-13(2)10(14(13,3)4)8-15-12(19)16-7-5-6-9(16)11(17)18/h9-10H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyVHAMDTMOCDWUJU-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 79350157
(2S)-1-(oxan-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55227623
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 107414526
1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192237
(2R,4R)-4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350873
(2S)-1-(thian-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113363940
4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350874
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61191761
(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 55151526
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 79350073) is 1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is CC1(C)C(CNC(=O)N2CCCC2C(=O)O)C1(C)C.
What is the InChIKey of 1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VHAMDTMOCDWUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2)10(14(13,3)4)8-15-12(19)16-7-5-6-9(16)11(17)18/h9-10H,5-8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79350073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).