(2S)-1-carbamimidoylazetidine-2-carboxylic acid

C5H9N3O2 — CID 118492901

IUPAC(2S)-1-carbamimidoylazetidine-2-carboxylic acid
SMILES[H]/N=C(\N)N1CC[C@H]1C(=O)O
InChIInChI=1S/C5H9N3O2/c6-5(7)8-2-1-3(8)4(9)10/h3H,1-2H2,(H3,6,7)(H,9,10)/t3-/m0/s1
InChIKeyNVBLZOPMEKQBGH-VKHMYHEASA-N
MW143.15 g/mol
LogP-0.96
Rot. Bonds1

About (2S)-1-carbamimidoylazetidine-2-carboxylic acid

(2S)-1-carbamimidoylazetidine-2-carboxylic acid (PubChem CID 118492901) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is (2S)-1-carbamimidoylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-carbamimidoylazetidine-2-carboxylic acid
PubChem CID118492901
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name(2S)-1-carbamimidoylazetidine-2-carboxylic acid
SMILES[H]/N=C(\N)N1CC[C@H]1C(=O)O
InChIInChI=1S/C5H9N3O2/c6-5(7)8-2-1-3(8)4(9)10/h3H,1-2H2,(H3,6,7)(H,9,10)/t3-/m0/s1
InChIKeyNVBLZOPMEKQBGH-VKHMYHEASA-N
XLogP-0.96
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methylazetidine-1-carboximidamide
CID 146189041
(2R,3S)-1-carbamimidoyl-2-methylazetidine-3-carboxylic acid
CID 118493172
2-carbamoylazetidine-1-carboxylic acid
CID 66897178
(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
CID 45080923
(2S)-1-(2,2-dimethylpropanoyl)azetidine-2-carboxylic acid
CID 130184716
butanedioic acid;2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 158527240
(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide;hydrobromide
CID 122163422
2-methylpyrrolidine-1-carboximidamide
CID 60974504
1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid
CID 130645542
(2R)-1-butoxycarbonylazetidine-2-carboxylic acid
CID 69461964
2-(hydroxymethyl)piperidine-1-carboximidamide
CID 121201331
(2S)-2-(hydroxymethyl)piperidine-1-carboximidamide
CID 129496372

Frequently Asked Questions

What is the IUPAC name of (2S)-1-carbamimidoylazetidine-2-carboxylic acid?
The IUPAC name of (2S)-1-carbamimidoylazetidine-2-carboxylic acid (CID 118492901) is (2S)-1-carbamimidoylazetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-carbamimidoylazetidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-carbamimidoylazetidine-2-carboxylic acid is [H]/N=C(\N)N1CC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-carbamimidoylazetidine-2-carboxylic acid?
The InChIKey is NVBLZOPMEKQBGH-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9N3O2/c6-5(7)8-2-1-3(8)4(9)10/h3H,1-2H2,(H3,6,7)(H,9,10)/t3-/m0/s1.
What are the key properties of (2S)-1-carbamimidoylazetidine-2-carboxylic acid?
(2S)-1-carbamimidoylazetidine-2-carboxylic acid has a molecular weight of 143.15 g/mol, XLogP of -0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-carbamimidoylazetidine-2-carboxylic acid is sourced from PubChem (CID 118492901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).