(2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C16H22N4O3 — CID 70718260

IUPAC(2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESN[C@H]1C[C@@H](C(=O)O)N(C2CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C16H22N4O3/c17-12-9-14(16(22)23)20(10-12)13-3-7-19(8-4-13)15(21)11-1-5-18-6-2-11/h1-2,5-6,12-14H,3-4,7-10,17H2,(H,22,23)/t12-,14-/m0/s1
InChIKeyOGOSJPYVMMZRGI-JSGCOSHPSA-N
MW318.38 g/mol
LogP0.17
Rot. Bonds3

About (2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

(2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 70718260) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID70718260
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESN[C@H]1C[C@@H](C(=O)O)N(C2CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C16H22N4O3/c17-12-9-14(16(22)23)20(10-12)13-3-7-19(8-4-13)15(21)11-1-5-18-6-2-11/h1-2,5-6,12-14H,3-4,7-10,17H2,(H,22,23)/t12-,14-/m0/s1
InChIKeyOGOSJPYVMMZRGI-JSGCOSHPSA-N
XLogP0.17
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 80553795
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160175
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
[4-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 72849329
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164762
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 70718260) is (2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is N[C@H]1C[C@@H](C(=O)O)N(C2CCN(C(=O)c3ccncc3)CC2)C1.
What is the InChIKey of (2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is OGOSJPYVMMZRGI-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H22N4O3/c17-12-9-14(16(22)23)20(10-12)13-3-7-19(8-4-13)15(21)11-1-5-18-6-2-11/h1-2,5-6,12-14H,3-4,7-10,17H2,(H,22,23)/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70718260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).