2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid

C10H16N2O2 — CID 43774231

IUPAC2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid
SMILESC#CCN1CCC(NCC(=O)O)CC1
InChIInChI=1S/C10H16N2O2/c1-2-5-12-6-3-9(4-7-12)11-8-10(13)14/h1,9,11H,3-8H2,(H,13,14)
InChIKeyFLWICKCAOGNBKY-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.24
Rot. Bonds4

About 2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid

2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid (PubChem CID 43774231) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid
PubChem CID43774231
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid
SMILESC#CCN1CCC(NCC(=O)O)CC1
InChIInChI=1S/C10H16N2O2/c1-2-5-12-6-3-9(4-7-12)11-8-10(13)14/h1,9,11H,3-8H2,(H,13,14)
InChIKeyFLWICKCAOGNBKY-UHFFFAOYSA-N
XLogP-0.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1-ethylpiperidin-4-yl)amino]acetic acid
CID 43135208
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
2-(cyclopropylamino)acetic acid
CID 21197388
1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43791036
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
2-[(1-acetylpiperidin-4-yl)amino]acetic acid
CID 22034312
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one
CID 115713495
N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43782791
N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine
CID 103780977
N-(3-methylsulfinylpropyl)-1-prop-2-ynylpiperidin-4-amine
CID 115721039
1-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-2-ol
CID 115719377

Frequently Asked Questions

What is the IUPAC name of 2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid (CID 43774231) is 2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid is C#CCN1CCC(NCC(=O)O)CC1.
What is the InChIKey of 2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid?
The InChIKey is FLWICKCAOGNBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-5-12-6-3-9(4-7-12)11-8-10(13)14/h1,9,11H,3-8H2,(H,13,14).
What are the key properties of 2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid?
2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid has a molecular weight of 196.25 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid is sourced from PubChem (CID 43774231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).