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

C6H11N3O2 — CID 57349210

IUPAC(2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid
SMILESNN=CN1CCC[C@H]1C(=O)O
InChIInChI=1S/C6H11N3O2/c7-8-4-9-3-1-2-5(9)6(10)11/h4-5H,1-3,7H2,(H,10,11)/t5-/m0/s1
InChIKeyREVOBEWBVGTOEK-YFKPBYRVSA-N
MW157.17 g/mol
LogP-0.56
Rot. Bonds2

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

(2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid (PubChem CID 57349210) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid
PubChem CID57349210
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid
SMILESNN=CN1CCC[C@H]1C(=O)O
InChIInChI=1S/C6H11N3O2/c7-8-4-9-3-1-2-5(9)6(10)11/h4-5H,1-3,7H2,(H,10,11)/t5-/m0/s1
InChIKeyREVOBEWBVGTOEK-YFKPBYRVSA-N
XLogP-0.56
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-formylpiperidine-2-carboxylic acid
CID 65439701
1-methanehydrazonoylpiperidine-3-carboxylic acid
CID 170993503
1-methanehydrazonoylpiperidine-4-carboxylic acid
CID 53403068
(2S)-1-chloropyrrolidine-2-carboxylic acid
CID 25009763
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
CID 175713287
CID 175713287
1-oxidopyrrolidine-2-carboxylic acid
CID 87113946
(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate
CID 156642898
azane;1-hydroxypyrrolidine-2-carboxylic acid
CID 138563399
(2R)-1-formylpyrrolidine-2-carboxamide
CID 144804081
1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
(2S)-1-ethenylpyrrolidine-2-carboxamide
CID 142882543

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid (CID 57349210) is (2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid is NN=CN1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid?
The InChIKey is REVOBEWBVGTOEK-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-8-4-9-3-1-2-5(9)6(10)11/h4-5H,1-3,7H2,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid?
(2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methanehydrazonoylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 57349210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).