(2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid

C9H14N2O3 — CID 67732998

IUPAC(2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid
SMILESC=CC(=O)NC1CCN[C@]1(C)C(=O)O
InChIInChI=1S/C9H14N2O3/c1-3-7(12)11-6-4-5-10-9(6,2)8(13)14/h3,6,10H,1,4-5H2,2H3,(H,11,12)(H,13,14)/t6?,9-/m0/s1
InChIKeyHMNZKZIKFKQSEE-HSOSERFQSA-N
MW198.22 g/mol
LogP-0.51
Rot. Bonds3

About (2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid

(2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid (PubChem CID 67732998) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid
PubChem CID67732998
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid
SMILESC=CC(=O)NC1CCN[C@]1(C)C(=O)O
InChIInChI=1S/C9H14N2O3/c1-3-7(12)11-6-4-5-10-9(6,2)8(13)14/h3,6,10H,1,4-5H2,2H3,(H,11,12)(H,13,14)/t6?,9-/m0/s1
InChIKeyHMNZKZIKFKQSEE-HSOSERFQSA-N
XLogP-0.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 134854970
(2S)-2-(aminomethyl)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid
CID 153709851
(2R)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 156867664
(2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 156867883
(2S,4S)-4-(methylamino)-1-prop-2-enoylpyrrolidine-2-carboxylic acid
CID 168110177
(2S)-4-(methylamino)-1-prop-2-enoylpyrrolidine-2-carboxylic acid
CID 168110205
(2R)-4-(methylamino)-1-prop-2-enoylpyrrolidine-2-carboxylic acid
CID 168110247
(2R,4S)-4-(methylamino)-1-prop-2-enoylpyrrolidine-2-carboxylic acid
CID 168110315
2-Amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid
CID 175050299
(2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 11058369
2-Methyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 64370132
2-Methyl-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]pyrrolidine-2-carboxylic acid
CID 64371767

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid (CID 67732998) is (2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid is C=CC(=O)NC1CCN[C@]1(C)C(=O)O.
What is the InChIKey of (2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid?
The InChIKey is HMNZKZIKFKQSEE-HSOSERFQSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-7(12)11-6-4-5-10-9(6,2)8(13)14/h3,6,10H,1,4-5H2,2H3,(H,11,12)(H,13,14)/t6?,9-/m0/s1.
What are the key properties of (2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid?
(2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67732998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).