(2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid

C9H14N2O3 — CID 70553246

IUPAC(2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid
SMILESC=CC(=O)NN1CCC[C@@]1(C)C(=O)O
InChIInChI=1S/C9H14N2O3/c1-3-7(12)10-11-6-4-5-9(11,2)8(13)14/h3H,1,4-6H2,2H3,(H,10,12)(H,13,14)/t9-/m0/s1
InChIKeyNSABPPNGJXJCCM-VIFPVBQESA-N
MW198.22 g/mol
LogP0.14
Rot. Bonds3

About (2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid

(2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid (PubChem CID 70553246) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid
PubChem CID70553246
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid
SMILESC=CC(=O)NN1CCC[C@@]1(C)C(=O)O
InChIInChI=1S/C9H14N2O3/c1-3-7(12)10-11-6-4-5-9(11,2)8(13)14/h3H,1,4-6H2,2H3,(H,10,12)(H,13,14)/t9-/m0/s1
InChIKeyNSABPPNGJXJCCM-VIFPVBQESA-N
XLogP0.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid (CID 70553246) is (2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid is C=CC(=O)NN1CCC[C@@]1(C)C(=O)O.
What is the InChIKey of (2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid?
The InChIKey is NSABPPNGJXJCCM-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-7(12)10-11-6-4-5-9(11,2)8(13)14/h3H,1,4-6H2,2H3,(H,10,12)(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid?
(2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70553246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).