(2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid

C11H20N2O5 — CID 63307482

IUPAC(2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid
SMILESCCNCC(C)C(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-4-12-6-7(2)10(15)13-8(11(16)17)5-9(14)18-3/h7-8,12H,4-6H2,1-3H3,(H,13,15)(H,16,17)/t7?,8-/m0/s1
InChIKeyCHSIGKFZUPPKKB-MQWKRIRWSA-N
MW260.29 g/mol
LogP-0.64
Rot. Bonds8

About (2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid

(2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid (PubChem CID 63307482) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid
PubChem CID63307482
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid
SMILESCCNCC(C)C(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-4-12-6-7(2)10(15)13-8(11(16)17)5-9(14)18-3/h7-8,12H,4-6H2,1-3H3,(H,13,15)(H,16,17)/t7?,8-/m0/s1
InChIKeyCHSIGKFZUPPKKB-MQWKRIRWSA-N
XLogP-0.64
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid with MolForge

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Related Compounds

4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid
CID 55123175
4-methoxy-2-(2-methylpropanoylamino)-4-oxobutanoic acid
CID 76989109
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
(2S)-2-(2-cyclopropylpropanoylamino)-4-methoxy-4-oxobutanoic acid
CID 83146560
5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid
CID 62838558
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
(2S)-4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 63305245
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63306811
2-[[2-amino-3-[[2-amino-3-[(1-carboxy-3-methoxy-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanoyl]amino]butanedioic acid;dihydrochloride
CID 51353155
methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate
CID 62852003
(2S)-4-methoxy-4-oxo-2-(pentan-3-ylcarbamoylamino)butanoic acid
CID 63307314
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid (CID 63307482) is (2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid is CCNCC(C)C(=O)N[C@@H](CC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid?
The InChIKey is CHSIGKFZUPPKKB-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-4-12-6-7(2)10(15)13-8(11(16)17)5-9(14)18-3/h7-8,12H,4-6H2,1-3H3,(H,13,15)(H,16,17)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid?
(2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 63307482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).