3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid

C12H23N3O4 — CID 131931427

IUPAC3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NCCCN1CCCC(O)C1
InChIInChI=1S/C12H23N3O4/c16-10-3-1-7-15(9-10)8-2-5-13-12(19)14-6-4-11(17)18/h10,16H,1-9H2,(H,17,18)(H2,13,14,19)
InChIKeyQUDZTUYNDRLODW-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.39
Rot. Bonds7

About 3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid

3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid (PubChem CID 131931427) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid
PubChem CID131931427
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NCCCN1CCCC(O)C1
InChIInChI=1S/C12H23N3O4/c16-10-3-1-7-15(9-10)8-2-5-13-12(19)14-6-4-11(17)18/h10,16H,1-9H2,(H,17,18)(H2,13,14,19)
InChIKeyQUDZTUYNDRLODW-UHFFFAOYSA-N
XLogP-0.39
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxypiperidin-1-yl)butanehydrazide
CID 63585558
4-(3-hydroxypiperidin-1-yl)-N-methylbutanamide
CID 63892540
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
1-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]-3-[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]urea
CID 125167351
(3S)-1-(3-aminopropyl)piperidin-3-ol
CID 7183117
(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol
CID 142756274
(3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol
CID 95120625
4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125170855
4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 125155609
1-(2-hydrazinylethyl)piperidin-3-ol
CID 130124439
N-[3-(3-hydroxypiperidin-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131895752
N-[2-(3-hydroxypiperidin-1-yl)ethyl]formamide
CID 88885612

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid (CID 131931427) is 3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid is O=C(O)CCNC(=O)NCCCN1CCCC(O)C1.
What is the InChIKey of 3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid?
The InChIKey is QUDZTUYNDRLODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c16-10-3-1-7-15(9-10)8-2-5-13-12(19)14-6-4-11(17)18/h10,16H,1-9H2,(H,17,18)(H2,13,14,19).
What are the key properties of 3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid?
3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.39, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid is sourced from PubChem (CID 131931427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).