imidazolidine-2-carboxylic acid

C4H8N2O2 — CID 13419879

IUPACimidazolidine-2-carboxylic acid
SMILESO=C(O)C1NCCN1
InChIInChI=1S/C4H8N2O2/c7-4(8)3-5-1-2-6-3/h3,5-6H,1-2H2,(H,7,8)
InChIKeyDKXKVWKTEATBQK-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.41
Rot. Bonds1

About imidazolidine-2-carboxylic acid

imidazolidine-2-carboxylic acid (PubChem CID 13419879) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is imidazolidine-2-carboxylic acid.

Molecular Properties

Compound Nameimidazolidine-2-carboxylic acid
PubChem CID13419879
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Nameimidazolidine-2-carboxylic acid
SMILESO=C(O)C1NCCN1
InChIInChI=1S/C4H8N2O2/c7-4(8)3-5-1-2-6-3/h3,5-6H,1-2H2,(H,7,8)
InChIKeyDKXKVWKTEATBQK-UHFFFAOYSA-N
XLogP-1.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxoimidazolidin-1-yl)acetic Acid
CID 1133461
2-Amino-1-imidazolidineacetic acid
CID 21198653
4-Oxoimidazolidine-2-carboxylic acid
CID 23129695
2-(2,2-Diaminoethylamino)acetic acid
CID 54036519
2-(3-Methylimidazolidin-1-yl)acetic acid
CID 58937991
Carboxymethylimidazolidinethione
CID 88282689
Imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 68720179
2-[3-(Carboxymethyl)imidazolidin-1-yl]acetic acid
CID 10877878
2-Imidazolidin-1-ylacetic acid
CID 11715185
2-(13-Oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-4-yl)acetic acid
CID 18324161
2-(2-Methanimidoylimidazolidin-1-yl)acetic acid
CID 18522944
2-[1-(Carboxymethyl)imidazolidin-1-ium-1-yl]acetic acid
CID 19101421

Frequently Asked Questions

What is the IUPAC name of imidazolidine-2-carboxylic acid?
The IUPAC name of imidazolidine-2-carboxylic acid (CID 13419879) is imidazolidine-2-carboxylic acid.
What is the SMILES notation for imidazolidine-2-carboxylic acid?
The canonical SMILES for imidazolidine-2-carboxylic acid is O=C(O)C1NCCN1.
What is the InChIKey of imidazolidine-2-carboxylic acid?
The InChIKey is DKXKVWKTEATBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c7-4(8)3-5-1-2-6-3/h3,5-6H,1-2H2,(H,7,8).
What are the key properties of imidazolidine-2-carboxylic acid?
imidazolidine-2-carboxylic acid has a molecular weight of 116.12 g/mol, XLogP of -1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-2-carboxylic acid is sourced from PubChem (CID 13419879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).