2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid

C11H20N2O5 — CID 65220842

IUPAC2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N(CC)CC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-4-8(10(15)16)6-12-11(17)13(5-2)7-9(14)18-3/h8H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeySYWHVOXBVDLXQP-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.30
Rot. Bonds7

About 2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid

2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 65220842) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid
PubChem CID65220842
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N(CC)CC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-4-8(10(15)16)6-12-11(17)13(5-2)7-9(14)18-3/h8H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeySYWHVOXBVDLXQP-UHFFFAOYSA-N
XLogP0.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid with MolForge

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Related Compounds

4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839223
2-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]butanoic acid
CID 107400099
5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686477
2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65220926
2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223097
2-[[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]methyl]butanoic acid
CID 65221488
methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953627
(2S)-2-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54998374
2-[[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]methyl]butanoic acid
CID 65222571
2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473869
2-[[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223458
3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109941

Frequently Asked Questions

What is the IUPAC name of 2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid (CID 65220842) is 2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid is CCC(CNC(=O)N(CC)CC(=O)OC)C(=O)O.
What is the InChIKey of 2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is SYWHVOXBVDLXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-4-8(10(15)16)6-12-11(17)13(5-2)7-9(14)18-3/h8H,4-7H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid?
2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65220842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).