2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid

C12H22N2O4 — CID 66168018

IUPAC2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCCCC1(C(=O)NCC(O)C(=O)O)CCCNC1
InChIInChI=1S/C12H22N2O4/c1-2-4-12(5-3-6-13-8-12)11(18)14-7-9(15)10(16)17/h9,13,15H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyGUGRRRYUGTVFET-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.28
Rot. Bonds6

About 2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid

2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid (PubChem CID 66168018) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
PubChem CID66168018
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCCCC1(C(=O)NCC(O)C(=O)O)CCCNC1
InChIInChI=1S/C12H22N2O4/c1-2-4-12(5-3-6-13-8-12)11(18)14-7-9(15)10(16)17/h9,13,15H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyGUGRRRYUGTVFET-UHFFFAOYSA-N
XLogP-0.28
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107836459
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide
CID 106435467
N-(4-hydroxypentan-2-yl)-3-propylpiperidine-3-carboxamide
CID 113376268
N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
CID 63135295
2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 79799194
N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide
CID 83109256
(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107824549
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
CID 107833146

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid (CID 66168018) is 2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid is CCCC1(C(=O)NCC(O)C(=O)O)CCCNC1.
What is the InChIKey of 2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid?
The InChIKey is GUGRRRYUGTVFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-4-12(5-3-6-13-8-12)11(18)14-7-9(15)10(16)17/h9,13,15H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.28, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66168018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).