3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid

C12H23N3O4 — CID 131943947

IUPAC3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NCCN1CCCCC1CO
InChIInChI=1S/C12H23N3O4/c16-9-10-3-1-2-7-15(10)8-6-14-12(19)13-5-4-11(17)18/h10,16H,1-9H2,(H,17,18)(H2,13,14,19)
InChIKeyYMRYKDAUXXXZOG-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.39
Rot. Bonds7

About 3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid

3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid (PubChem CID 131943947) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid
PubChem CID131943947
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NCCN1CCCCC1CO
InChIInChI=1S/C12H23N3O4/c16-9-10-3-1-2-7-15(10)8-6-14-12(19)13-5-4-11(17)18/h10,16H,1-9H2,(H,17,18)(H2,13,14,19)
InChIKeyYMRYKDAUXXXZOG-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

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Related Compounds

3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350
7-[2-(hydroxymethyl)pyrrolidin-1-yl]heptanoic acid
CID 174218566
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
1-(cyclobutanecarbonyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 131891855
1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-isoquinolin-5-ylurea
CID 118783725
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 131917065
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823
3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 29295033
1-(3-chloro-2-fluorophenyl)-3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 118774897
2-[4-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]phenyl]-N-methylacetamide
CID 125171086

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid (CID 131943947) is 3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid is O=C(O)CCNC(=O)NCCN1CCCCC1CO.
What is the InChIKey of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid?
The InChIKey is YMRYKDAUXXXZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c16-9-10-3-1-2-7-15(10)8-6-14-12(19)13-5-4-11(17)18/h10,16H,1-9H2,(H,17,18)(H2,13,14,19).
What are the key properties of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid?
3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]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-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 131943947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).