(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid

C6H11N3O3 — CID 173144791

IUPAC(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
SMILESNC(=NO)[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C6H11N3O3/c7-5(8-12)4-2-1-3-9(4)6(10)11/h4,12H,1-3H2,(H2,7,8)(H,10,11)/t4-/m0/s1
InChIKeyMTOZOOAIFOLNME-BYPYZUCNSA-N
MW173.17 g/mol
LogP-0.12
Rot. Bonds1

About (2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid

(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid (PubChem CID 173144791) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
PubChem CID173144791
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
SMILESNC(=NO)[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C6H11N3O3/c7-5(8-12)4-2-1-3-9(4)6(10)11/h4,12H,1-3H2,(H2,7,8)(H,10,11)/t4-/m0/s1
InChIKeyMTOZOOAIFOLNME-BYPYZUCNSA-N
XLogP-0.12
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
CID 21355915
N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
CID 77036368
N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
CID 77035994
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide
CID 79163675
N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
CID 77036476
N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide
CID 77036233
N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036265
N'-hydroxy-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboximidamide
CID 104521804
1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036430
N'-hydroxy-1-(3,4,4-trimethylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036440
tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate
CID 130131589
N'-hydroxy-1-(2-methylhexanoyl)pyrrolidine-2-carboximidamide
CID 114246956

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid (CID 173144791) is (2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid is NC(=NO)[C@@H]1CCCN1C(=O)O.
What is the InChIKey of (2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is MTOZOOAIFOLNME-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11N3O3/c7-5(8-12)4-2-1-3-9(4)6(10)11/h4,12H,1-3H2,(H2,7,8)(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid?
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 173144791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).