ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate

C11H20N2O5 — CID 134858148

IUPACethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate
SMILESCCOC(=O)[C@@H](NC(=O)NCC(=O)OC)C(C)C
InChIInChI=1S/C11H20N2O5/c1-5-18-10(15)9(7(2)3)13-11(16)12-6-8(14)17-4/h7,9H,5-6H2,1-4H3,(H2,12,13,16)/t9-/m0/s1
InChIKeyWNPIBAXZQHCQEA-VIFPVBQESA-N
MW260.29 g/mol
LogP0.05
Rot. Bonds6

About ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate

ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate (PubChem CID 134858148) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate
PubChem CID134858148
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Nameethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate
SMILESCCOC(=O)[C@@H](NC(=O)NCC(=O)OC)C(C)C
InChIInChI=1S/C11H20N2O5/c1-5-18-10(15)9(7(2)3)13-11(16)12-6-8(14)17-4/h7,9H,5-6H2,1-4H3,(H2,12,13,16)/t9-/m0/s1
InChIKeyWNPIBAXZQHCQEA-VIFPVBQESA-N
XLogP0.05
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate?
The IUPAC name of ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate (CID 134858148) is ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate.
What is the SMILES notation for ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate?
The canonical SMILES for ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate is CCOC(=O)[C@@H](NC(=O)NCC(=O)OC)C(C)C.
What is the InChIKey of ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate?
The InChIKey is WNPIBAXZQHCQEA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O5/c1-5-18-10(15)9(7(2)3)13-11(16)12-6-8(14)17-4/h7,9H,5-6H2,1-4H3,(H2,12,13,16)/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate?
ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate has a molecular weight of 260.29 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoate is sourced from PubChem (CID 134858148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).