2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid

C10H18N2O5 — CID 61183200

IUPAC2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCC(=O)OC)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-4-5-10(2,8(14)15)12-9(16)11-6-7(13)17-3/h4-6H2,1-3H3,(H,14,15)(H2,11,12,16)
InChIKeyWGINSGLMALNQCP-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.10
Rot. Bonds6

About 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid

2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid (PubChem CID 61183200) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid
PubChem CID61183200
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCC(=O)OC)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-4-5-10(2,8(14)15)12-9(16)11-6-7(13)17-3/h4-6H2,1-3H3,(H,14,15)(H2,11,12,16)
InChIKeyWGINSGLMALNQCP-UHFFFAOYSA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid (CID 61183200) is 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)NCC(=O)OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid?
The InChIKey is WGINSGLMALNQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-4-5-10(2,8(14)15)12-9(16)11-6-7(13)17-3/h4-6H2,1-3H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid?
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 61183200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).