4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 114101481

IUPAC4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCCC1(CNC(=O)N2CC(C)C(C(=O)O)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-3-4-14(5-6-14)9-15-13(19)16-7-10(2)11(8-16)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHAVOLTFDNXYXGI-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.93
Rot. Bonds5

About 4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 114101481) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID114101481
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCCC1(CNC(=O)N2CC(C)C(C(=O)O)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-3-4-14(5-6-14)9-15-13(19)16-7-10(2)11(8-16)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHAVOLTFDNXYXGI-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

3-Propyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146007
3-Ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63227594
3-Propyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63227642
1-(4-Methylpentylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709105
1-(Cyclopentylmethylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709989
1-(1-Cyclopropylpropan-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63995541
1-(Hexylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64182946
1-(2-Cyclopropylethylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65559605
1-[(1-Ethylcyclopropyl)methylcarbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 105705113
1-[(2,2-Dimethylcyclopropyl)methylcarbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 105760414
1-[(2-Ethylcyclopropyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 105760959
1-[(2-Propylcyclopropyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 105780364

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 114101481) is 4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is CCCC1(CNC(=O)N2CC(C)C(C(=O)O)C2)CC1.
What is the InChIKey of 4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HAVOLTFDNXYXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-4-14(5-6-14)9-15-13(19)16-7-10(2)11(8-16)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-propylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114101481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).