2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid

C14H19N3O3 — CID 63309541

IUPAC2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCc1cccnc1CNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C14H19N3O3/c1-10-4-2-6-15-12(10)9-16-14(20)17-7-3-5-11(17)8-13(18)19/h2,4,6,11H,3,5,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyWDWPFLQCJMMFDN-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.54
Rot. Bonds4

About 2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 63309541) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID63309541
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCc1cccnc1CNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C14H19N3O3/c1-10-4-2-6-15-12(10)9-16-14(20)17-7-3-5-11(17)8-13(18)19/h2,4,6,11H,3,5,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyWDWPFLQCJMMFDN-UHFFFAOYSA-N
XLogP1.54
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111428254
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 111104361
2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 106900464
2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61196830
(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 107147142
1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
CID 124563812
4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
2-[1-[(2,4-difluorophenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62227398
2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 64525703
(3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 95934138
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid (CID 63309541) is 2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid is Cc1cccnc1CNC(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is WDWPFLQCJMMFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-4-2-6-15-12(10)9-16-14(20)17-7-3-5-11(17)8-13(18)19/h2,4,6,11H,3,5,7-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 63309541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).