2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid

C12H20N2O4 — CID 104511158

IUPAC2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CC(C(C)C)CC1=O)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-7(2)9-4-11(16)14(5-9)6-10(12(17)18)13-8(3)15/h7,9-10H,4-6H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyOPLJAJCMSKFXDE-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.08
Rot. Bonds5

About 2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid

2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid (PubChem CID 104511158) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
PubChem CID104511158
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CC(C(C)C)CC1=O)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-7(2)9-4-11(16)14(5-9)6-10(12(17)18)13-8(3)15/h7,9-10H,4-6H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyOPLJAJCMSKFXDE-UHFFFAOYSA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511458
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 64582491
1-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511188
2-acetamido-3-(2-oxoazocan-1-yl)propanoic acid
CID 64581697
2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid
CID 79469214
(2S)-3-(4-hydroxy-2-oxopyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 168701474
3-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 168704254
2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid
CID 64837173
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid (CID 104511158) is 2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid is CC(=O)NC(CN1CC(C(C)C)CC1=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid?
The InChIKey is OPLJAJCMSKFXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7(2)9-4-11(16)14(5-9)6-10(12(17)18)13-8(3)15/h7,9-10H,4-6H2,1-3H3,(H,13,15)(H,17,18).
What are the key properties of 2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid?
2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 104511158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).