2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid

C12H17N3O2 — CID 83896646

IUPAC2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid
SMILESNC(C(=O)O)c1ccnc(N2CCCCC2)c1
InChIInChI=1S/C12H17N3O2/c13-11(12(16)17)9-4-5-14-10(8-9)15-6-2-1-3-7-15/h4-5,8,11H,1-3,6-7,13H2,(H,16,17)
InChIKeyRTTWPYQJBVTQGE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.16
Rot. Bonds3

About 2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid

2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid (PubChem CID 83896646) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid
PubChem CID83896646
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid
SMILESNC(C(=O)O)c1ccnc(N2CCCCC2)c1
InChIInChI=1S/C12H17N3O2/c13-11(12(16)17)9-4-5-14-10(8-9)15-6-2-1-3-7-15/h4-5,8,11H,1-3,6-7,13H2,(H,16,17)
InChIKeyRTTWPYQJBVTQGE-UHFFFAOYSA-N
XLogP1.16
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 119841340
2-amino-2-(3-chloro-4-pyrrolidin-1-ylphenyl)acetic acid
CID 77128938
1-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876735
1-[2-(4-methylsulfanylazepan-1-yl)-4-pyridinyl]ethanamine
CID 114237251
1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876717
3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid
CID 82661762
1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
CID 83888257
3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119952941
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine
CID 130547348
N-(2-piperidin-1-yl-4-pyridinyl)pyrrolidine-1-carboxamide
CID 155954671
N'-hydroxy-2-piperidin-1-ylpyridine-4-carboximidamide
CID 135906764

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid?
The IUPAC name of 2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid (CID 83896646) is 2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid is NC(C(=O)O)c1ccnc(N2CCCCC2)c1.
What is the InChIKey of 2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid?
The InChIKey is RTTWPYQJBVTQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-11(12(16)17)9-4-5-14-10(8-9)15-6-2-1-3-7-15/h4-5,8,11H,1-3,6-7,13H2,(H,16,17).
What are the key properties of 2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid?
2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid has a molecular weight of 235.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid is sourced from PubChem (CID 83896646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).