(2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid

C16H24N4O3 — CID 171834271

IUPAC(2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid
SMILESN[C@H](CCNC(=O)C1CCN(Cc2ccccn2)CC1)C(=O)O
InChIInChI=1S/C16H24N4O3/c17-14(16(22)23)4-8-19-15(21)12-5-9-20(10-6-12)11-13-3-1-2-7-18-13/h1-3,7,12,14H,4-6,8-11,17H2,(H,19,21)(H,22,23)/t14-/m1/s1
InChIKeySSJHYLORYVOABJ-CQSZACIVSA-N
MW320.39 g/mol
LogP0.21
Rot. Bonds7

About (2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid

(2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid (PubChem CID 171834271) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid
PubChem CID171834271
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid
SMILESN[C@H](CCNC(=O)C1CCN(Cc2ccccn2)CC1)C(=O)O
InChIInChI=1S/C16H24N4O3/c17-14(16(22)23)4-8-19-15(21)12-5-9-20(10-6-12)11-13-3-1-2-7-18-13/h1-3,7,12,14H,4-6,8-11,17H2,(H,19,21)(H,22,23)/t14-/m1/s1
InChIKeySSJHYLORYVOABJ-CQSZACIVSA-N
XLogP0.21
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 51361852
N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 1071352
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 51362752
N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 51362567
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate
CID 51129025
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 118781434
N-[2-(2-fluorophenyl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 47056014

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid?
The IUPAC name of (2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid (CID 171834271) is (2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for (2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid is N[C@H](CCNC(=O)C1CCN(Cc2ccccn2)CC1)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid?
The InChIKey is SSJHYLORYVOABJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O3/c17-14(16(22)23)4-8-19-15(21)12-5-9-20(10-6-12)11-13-3-1-2-7-18-13/h1-3,7,12,14H,4-6,8-11,17H2,(H,19,21)(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid?
(2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid has a molecular weight of 320.39 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 171834271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).