1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid

C14H23N3O3 — CID 63719906

IUPAC1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NC2CCN3CCCC23)CC1C(=O)O
InChIInChI=1S/C14H23N3O3/c1-9-7-17(8-10(9)13(18)19)14(20)15-11-4-6-16-5-2-3-12(11)16/h9-12H,2-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyVLGXKEALSFCGIW-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.59
Rot. Bonds2

About 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid

1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63719906) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63719906
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NC2CCN3CCCC23)CC1C(=O)O
InChIInChI=1S/C14H23N3O3/c1-9-7-17(8-10(9)13(18)19)14(20)15-11-4-6-16-5-2-3-12(11)16/h9-12H,2-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyVLGXKEALSFCGIW-UHFFFAOYSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130
1-[(2,3-dimethylcyclopentyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 64923035
4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63722176
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 82857025
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147544
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425404
(3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide
CID 98799340
cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide
CID 94121437
(3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95126760
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94125453
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779533
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63719906) is 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)NC2CCN3CCCC23)CC1C(=O)O.
What is the InChIKey of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is VLGXKEALSFCGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9-7-17(8-10(9)13(18)19)14(20)15-11-4-6-16-5-2-3-12(11)16/h9-12H,2-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63719906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).