methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate

C10H17N3O4 — CID 11230270

IUPACmethyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate
SMILESCC[C@@H](C(N)=O)N1CC(NC(=O)OC)CC1=O
InChIInChI=1S/C10H17N3O4/c1-3-7(9(11)15)13-5-6(4-8(13)14)12-10(16)17-2/h6-7H,3-5H2,1-2H3,(H2,11,15)(H,12,16)/t6?,7-/m0/s1
InChIKeyRXUDAGJMGUCAAE-MLWJPKLSSA-N
MW243.26 g/mol
LogP-0.79
Rot. Bonds4

About methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate

methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 11230270) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate
PubChem CID11230270
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Namemethyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate
SMILESCC[C@@H](C(N)=O)N1CC(NC(=O)OC)CC1=O
InChIInChI=1S/C10H17N3O4/c1-3-7(9(11)15)13-5-6(4-8(13)14)12-10(16)17-2/h6-7H,3-5H2,1-2H3,(H2,11,15)(H,12,16)/t6?,7-/m0/s1
InChIKeyRXUDAGJMGUCAAE-MLWJPKLSSA-N
XLogP-0.79
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate (CID 11230270) is methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate is CC[C@@H](C(N)=O)N1CC(NC(=O)OC)CC1=O.
What is the InChIKey of methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is RXUDAGJMGUCAAE-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-3-7(9(11)15)13-5-6(4-8(13)14)12-10(16)17-2/h6-7H,3-5H2,1-2H3,(H2,11,15)(H,12,16)/t6?,7-/m0/s1.
What are the key properties of methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate?
methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 243.26 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 11230270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).