2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid

C12H22N2O3 — CID 62675285

IUPAC2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CC1CCCNC1
InChIInChI=1S/C12H22N2O3/c1-2-6-14(9-12(16)17)11(15)7-10-4-3-5-13-8-10/h10,13H,2-9H2,1H3,(H,16,17)
InChIKeyXJRVNQLZVKWRDW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds6

About 2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid

2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid (PubChem CID 62675285) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid
PubChem CID62675285
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CC1CCCNC1
InChIInChI=1S/C12H22N2O3/c1-2-6-14(9-12(16)17)11(15)7-10-4-3-5-13-8-10/h10,13H,2-9H2,1H3,(H,16,17)
InChIKeyXJRVNQLZVKWRDW-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid
CID 63645070
2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628324
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62690375
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
2-cyclopentyl-N-piperidin-3-yl-N-propylacetamide
CID 60805879
N-(piperidin-3-ylmethyl)-N-propyloctanamide
CID 106628397
N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide
CID 62675226
2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 79262135
N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-4-yl-N-propylacetamide
CID 54916167
1-methyl-N-(piperidin-3-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 106628384
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567

Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid (CID 62675285) is 2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)CC1CCCNC1.
What is the InChIKey of 2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid?
The InChIKey is XJRVNQLZVKWRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-6-14(9-12(16)17)11(15)7-10-4-3-5-13-8-10/h10,13H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid?
2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid is sourced from PubChem (CID 62675285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).