(2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid

C6H11N3O3 — CID 139754634

IUPAC(2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid
SMILES[H]/N=C(\N)N1CCC[C@@]1(O)C(=O)O
InChIInChI=1S/C6H11N3O3/c7-5(8)9-3-1-2-6(9,12)4(10)11/h12H,1-3H2,(H3,7,8)(H,10,11)/t6-/m1/s1
InChIKeyJXWJHEKLJRWWSB-ZCFIWIBFSA-N
MW173.17 g/mol
LogP-1.25
Rot. Bonds1

About (2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid

(2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 139754634) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid
PubChem CID139754634
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name(2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid
SMILES[H]/N=C(\N)N1CCC[C@@]1(O)C(=O)O
InChIInChI=1S/C6H11N3O3/c7-5(8)9-3-1-2-6(9,12)4(10)11/h12H,1-3H2,(H3,7,8)(H,10,11)/t6-/m1/s1
InChIKeyJXWJHEKLJRWWSB-ZCFIWIBFSA-N
XLogP-1.25
TPSA110.64 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22556536
1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid
CID 123572540
2-fluoropyrrolidine-1,2-dicarboxylic acid
CID 69306748
1,2-dihydroxypyrrolidine-2-carboxamide
CID 140539676
1,2-dihydroxypiperidine-2-carboxylic acid
CID 68700231
2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 175373434
(2S)-1-carbamimidoylazetidine-2-carboxylic acid
CID 118492901
1-decyl-2-hydroxypyrrolidine-2-carboxylic acid
CID 66691415
4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
CID 59630137
CID 59630137
2-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 130608363
(2S)-2-ethenyl-1-methoxycarbonylpyrrolidine-2-carboxylic acid
CID 102589964

Frequently Asked Questions

What is the IUPAC name of (2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid (CID 139754634) is (2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid is [H]/N=C(\N)N1CCC[C@@]1(O)C(=O)O.
What is the InChIKey of (2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is JXWJHEKLJRWWSB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11N3O3/c7-5(8)9-3-1-2-6(9,12)4(10)11/h12H,1-3H2,(H3,7,8)(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid?
(2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -1.25, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 139754634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).