2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid

C6H11N3O2 — CID 118492948

IUPAC2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid
SMILES[H]/N=C(\N)N1CC[C@@H]1CC(=O)O
InChIInChI=1S/C6H11N3O2/c7-6(8)9-2-1-4(9)3-5(10)11/h4H,1-3H2,(H3,7,8)(H,10,11)/t4-/m1/s1
InChIKeyMACDDKKLGSQBSY-SCSAIBSYSA-N
MW157.17 g/mol
LogP-0.57
Rot. Bonds2

About 2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid

2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid (PubChem CID 118492948) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid
PubChem CID118492948
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid
SMILES[H]/N=C(\N)N1CC[C@@H]1CC(=O)O
InChIInChI=1S/C6H11N3O2/c7-6(8)9-2-1-4(9)3-5(10)11/h4H,1-3H2,(H3,7,8)(H,10,11)/t4-/m1/s1
InChIKeyMACDDKKLGSQBSY-SCSAIBSYSA-N
XLogP-0.57
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.57
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

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2-(hydroxymethyl)pyrrolidine-1-carboximidamide
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2-(hydroxymethyl)piperidine-1-carboximidamide
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(2S)-2-(hydroxymethyl)piperidine-1-carboximidamide
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(2R,3S)-1-carbamimidoyl-2-methylazetidine-3-carboxylic acid
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2-ethylpiperazine-1-carboximidamide
CID 159511522
(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide;hydrobromide
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2-methylpyrrolidine-1-carboximidamide
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2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61403064
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
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CID 61181297

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid (CID 118492948) is 2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid is [H]/N=C(\N)N1CC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid?
The InChIKey is MACDDKKLGSQBSY-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-6(8)9-2-1-4(9)3-5(10)11/h4H,1-3H2,(H3,7,8)(H,10,11)/t4-/m1/s1.
What are the key properties of 2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid?
2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid has a molecular weight of 157.17 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid is sourced from PubChem (CID 118492948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).