(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid

C9H14N2O4 — CID 61132109

IUPAC(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C1CC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C9H14N2O4/c1-5(9(14)15)10-8(13)6-3-7(12)11(2)4-6/h5-6H,3-4H2,1-2H3,(H,10,13)(H,14,15)/t5-,6?/m0/s1
InChIKeyMWIGVEGQLOLZBK-ZBHICJROSA-N
MW214.22 g/mol
LogP-0.95
Rot. Bonds3

About (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid

(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 61132109) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID61132109
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C1CC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C9H14N2O4/c1-5(9(14)15)10-8(13)6-3-7(12)11(2)4-6/h5-6H,3-4H2,1-2H3,(H,10,13)(H,14,15)/t5-,6?/m0/s1
InChIKeyMWIGVEGQLOLZBK-ZBHICJROSA-N
XLogP-0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid (CID 61132109) is (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid is C[C@H](NC(=O)C1CC(=O)N(C)C1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is MWIGVEGQLOLZBK-ZBHICJROSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-5(9(14)15)10-8(13)6-3-7(12)11(2)4-6/h5-6H,3-4H2,1-2H3,(H,10,13)(H,14,15)/t5-,6?/m0/s1.
What are the key properties of (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 214.22 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61132109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).