3-imidazolidin-2-ylpropanoic acid

C6H12N2O2 — CID 23364926

IUPAC3-imidazolidin-2-ylpropanoic acid
SMILESO=C(O)CCC1NCCN1
InChIInChI=1S/C6H12N2O2/c9-6(10)2-1-5-7-3-4-8-5/h5,7-8H,1-4H2,(H,9,10)
InChIKeyNPTBAINWCVBRDN-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.63
Rot. Bonds3

About 3-imidazolidin-2-ylpropanoic acid

3-imidazolidin-2-ylpropanoic acid (PubChem CID 23364926) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-imidazolidin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-imidazolidin-2-ylpropanoic acid
PubChem CID23364926
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-imidazolidin-2-ylpropanoic acid
SMILESO=C(O)CCC1NCCN1
InChIInChI=1S/C6H12N2O2/c9-6(10)2-1-5-7-3-4-8-5/h5,7-8H,1-4H2,(H,9,10)
InChIKeyNPTBAINWCVBRDN-UHFFFAOYSA-N
XLogP-0.63
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-piperazin-2-yl]propanoic acid
CID 86334249
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
3-(azepan-2-yl)propanoic acid
CID 69475849
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
2-(1,3-diazinan-2-yl)acetic acid
CID 91095230
3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid
CID 84653490
3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid
CID 101205272
3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride
CID 174214436
3-(4-methylpiperazin-2-yl)propanoic acid
CID 54495672
3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid
CID 118102818
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
6-piperidin-4-ylhexanoic acid;hydrochloride
CID 175496975

Frequently Asked Questions

What is the IUPAC name of 3-imidazolidin-2-ylpropanoic acid?
The IUPAC name of 3-imidazolidin-2-ylpropanoic acid (CID 23364926) is 3-imidazolidin-2-ylpropanoic acid.
What is the SMILES notation for 3-imidazolidin-2-ylpropanoic acid?
The canonical SMILES for 3-imidazolidin-2-ylpropanoic acid is O=C(O)CCC1NCCN1.
What is the InChIKey of 3-imidazolidin-2-ylpropanoic acid?
The InChIKey is NPTBAINWCVBRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c9-6(10)2-1-5-7-3-4-8-5/h5,7-8H,1-4H2,(H,9,10).
What are the key properties of 3-imidazolidin-2-ylpropanoic acid?
3-imidazolidin-2-ylpropanoic acid has a molecular weight of 144.17 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazolidin-2-ylpropanoic acid is sourced from PubChem (CID 23364926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).