(2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid

C6H10N2O2 — CID 146918311

IUPAC(2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid
SMILESC=N[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H10N2O2/c1-7-4-2-5(6(9)10)8-3-4/h4-5,8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
InChIKeyACRBIFCQWLPHTB-UHNVWZDZSA-N
MW142.16 g/mol
LogP-0.50
Rot. Bonds2

About (2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid

(2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid (PubChem CID 146918311) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid
PubChem CID146918311
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid
SMILESC=N[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H10N2O2/c1-7-4-2-5(6(9)10)8-3-4/h4-5,8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
InChIKeyACRBIFCQWLPHTB-UHNVWZDZSA-N
XLogP-0.50
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-aminopyrrolidine-2-carboxylic acid
CID 21120376
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid
CID 10822635
4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydroxysilane
CID 131716757
(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 5318293
(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 54517485
(2S)-4-formylpyrrolidine-2-carboxylic acid
CID 54392405
(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid
CID 69415459
(2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 118274051
(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
(2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 88710869

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid (CID 146918311) is (2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid is C=N[C@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid?
The InChIKey is ACRBIFCQWLPHTB-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-7-4-2-5(6(9)10)8-3-4/h4-5,8H,1-3H2,(H,9,10)/t4-,5+/m1/s1.
What are the key properties of (2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid has a molecular weight of 142.16 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 146918311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).