(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid

C11H20N2O6 — CID 63305117

IUPAC(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
SMILESCCN(CCOC)C(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-4-13(5-6-18-2)11(17)12-8(10(15)16)7-9(14)19-3/h8H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t8-/m0/s1
InChIKeyBUNKTPHRHWKEFT-QMMMGPOBSA-N
MW276.29 g/mol
LogP-0.32
Rot. Bonds8

About (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid

(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid (PubChem CID 63305117) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
PubChem CID63305117
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
SMILESCCN(CCOC)C(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-4-13(5-6-18-2)11(17)12-8(10(15)16)7-9(14)19-3/h8H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t8-/m0/s1
InChIKeyBUNKTPHRHWKEFT-QMMMGPOBSA-N
XLogP-0.32
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
CID 113467934
(2S)-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305201
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 54948450
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
CID 115535060
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
(2S)-2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305116
2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid
CID 103339673
2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid
CID 102995572

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid (CID 63305117) is (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid is CCN(CCOC)C(=O)N[C@@H](CC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid?
The InChIKey is BUNKTPHRHWKEFT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-4-13(5-6-18-2)11(17)12-8(10(15)16)7-9(14)19-3/h8H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid?
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 63305117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).