2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid

C12H17N3O3 — CID 140516562

IUPAC2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccnc(NCC2CCCN2C(=O)O)c1
InChIInChI=1S/C12H17N3O3/c1-18-10-4-5-13-11(7-10)14-8-9-3-2-6-15(9)12(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,14)(H,16,17)
InChIKeySJOCAJDJRUSREQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.64
Rot. Bonds4

About 2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid

2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid (PubChem CID 140516562) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid
PubChem CID140516562
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccnc(NCC2CCCN2C(=O)O)c1
InChIInChI=1S/C12H17N3O3/c1-18-10-4-5-13-11(7-10)14-8-9-3-2-6-15(9)12(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,14)(H,16,17)
InChIKeySJOCAJDJRUSREQ-UHFFFAOYSA-N
XLogP1.64
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[(4-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 71634391
4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 139925030
(2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 67090908
(2S)-2-[[[2-(N'-hydroxycarbamimidoyl)-4-(4-methoxyphenoxy)pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 154236127
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172694
tert-butyl (2R)-2-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172702
(2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid
CID 69402656
(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 90464997
(2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 141385920
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone;dihydrochloride
CID 119650832
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95257239
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 67090810

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid (CID 140516562) is 2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid is COc1ccnc(NCC2CCCN2C(=O)O)c1.
What is the InChIKey of 2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is SJOCAJDJRUSREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-10-4-5-13-11(7-10)14-8-9-3-2-6-15(9)12(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid?
2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 140516562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).