2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid

C6H10N2O4 — CID 130879135

IUPAC2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)N1CC(O)C1
InChIInChI=1S/C6H10N2O4/c9-4-2-8(3-4)6(12)7-1-5(10)11/h4,9H,1-3H2,(H,7,12)(H,10,11)
InChIKeyHVQLMRKMKOFPHX-UHFFFAOYSA-N
MW174.16 g/mol
LogP-1.54
Rot. Bonds2

About 2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid

2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid (PubChem CID 130879135) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid
PubChem CID130879135
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)N1CC(O)C1
InChIInChI=1S/C6H10N2O4/c9-4-2-8(3-4)6(12)7-1-5(10)11/h4,9H,1-3H2,(H,7,12)(H,10,11)
InChIKeyHVQLMRKMKOFPHX-UHFFFAOYSA-N
XLogP-1.54
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocane-1-carbonylamino)acetic acid
CID 43445649
2-(morpholine-4-carbonylamino)acetic acid
CID 18917961
2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618398
2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 55220965
2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
CID 103197217
2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid
CID 114411753
2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 63547793
2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63162157
2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 62992600
2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid
CID 54124814
2-[[2-[(3,5-dioxopiperazine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 66063387
2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]acetic acid
CID 907172

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid (CID 130879135) is 2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid is O=C(O)CNC(=O)N1CC(O)C1.
What is the InChIKey of 2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid?
The InChIKey is HVQLMRKMKOFPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c9-4-2-8(3-4)6(12)7-1-5(10)11/h4,9H,1-3H2,(H,7,12)(H,10,11).
What are the key properties of 2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid?
2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid has a molecular weight of 174.16 g/mol, XLogP of -1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 130879135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).