1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid

C10H16N2O2 — CID 14980464

IUPAC1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1=NCCCC1
InChIInChI=1S/C10H16N2O2/c13-10(14)8-4-3-7-12(8)9-5-1-2-6-11-9/h8H,1-7H2,(H,13,14)
InChIKeyYWMACCSKSWOKRF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.12
Rot. Bonds1

About 1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid

1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid (PubChem CID 14980464) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid
PubChem CID14980464
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1=NCCCC1
InChIInChI=1S/C10H16N2O2/c13-10(14)8-4-3-7-12(8)9-5-1-2-6-11-9/h8H,1-7H2,(H,13,14)
InChIKeyYWMACCSKSWOKRF-UHFFFAOYSA-N
XLogP1.12
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-chloropyrrolidine-2-carboxylic acid
CID 25009763
1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid
CID 112709125
N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine
CID 150582155
1-(1,1-dioxo-2,3-dihydrothiophen-4-yl)pyrrolidine-2-carboxylic acid
CID 82038305
(2S)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 131562941
4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 22670654
(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 92701446
(2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 122051780
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 62684493
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid (CID 14980464) is 1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C1=NCCCC1.
What is the InChIKey of 1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is YWMACCSKSWOKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-10(14)8-4-3-7-12(8)9-5-1-2-6-11-9/h8H,1-7H2,(H,13,14).
What are the key properties of 1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid?
1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetrahydropyridin-6-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 14980464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).