2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid

C10H16N2O4 — CID 59400521

IUPAC2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid
SMILESCC[C@@H](C(N)=O)N1CC(CC(=O)O)CC1=O
InChIInChI=1S/C10H16N2O4/c1-2-7(10(11)16)12-5-6(3-8(12)13)4-9(14)15/h6-7H,2-5H2,1H3,(H2,11,16)(H,14,15)/t6?,7-/m0/s1
InChIKeyUNZUDFHQQHCWOX-MLWJPKLSSA-N
MW228.25 g/mol
LogP-0.43
Rot. Bonds5

About 2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid

2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid (PubChem CID 59400521) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid
PubChem CID59400521
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid
SMILESCC[C@@H](C(N)=O)N1CC(CC(=O)O)CC1=O
InChIInChI=1S/C10H16N2O4/c1-2-7(10(11)16)12-5-6(3-8(12)13)4-9(14)15/h6-7H,2-5H2,1H3,(H2,11,16)(H,14,15)/t6?,7-/m0/s1
InChIKeyUNZUDFHQQHCWOX-MLWJPKLSSA-N
XLogP-0.43
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid (CID 59400521) is 2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid is CC[C@@H](C(N)=O)N1CC(CC(=O)O)CC1=O.
What is the InChIKey of 2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid?
The InChIKey is UNZUDFHQQHCWOX-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-7(10(11)16)12-5-6(3-8(12)13)4-9(14)15/h6-7H,2-5H2,1H3,(H2,11,16)(H,14,15)/t6?,7-/m0/s1.
What are the key properties of 2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid?
2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 59400521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).