2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate

C10H20N2O4 — CID 21279281

IUPAC2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate
SMILESCC(C)COC(=O)CC(O)CNCC(N)=O
InChIInChI=1S/C10H20N2O4/c1-7(2)6-16-10(15)3-8(13)4-12-5-9(11)14/h7-8,12-13H,3-6H2,1-2H3,(H2,11,14)
InChIKeyUTOJRIPUJRRDMZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.99
Rot. Bonds8

About 2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate

2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate (PubChem CID 21279281) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate.

Molecular Properties

Compound Name2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate
PubChem CID21279281
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate
SMILESCC(C)COC(=O)CC(O)CNCC(N)=O
InChIInChI=1S/C10H20N2O4/c1-7(2)6-16-10(15)3-8(13)4-12-5-9(11)14/h7-8,12-13H,3-6H2,1-2H3,(H2,11,14)
InChIKeyUTOJRIPUJRRDMZ-UHFFFAOYSA-N
XLogP-0.99
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-2-oxoethyl)amino]-2-hydroxypropane-1-sulfonic acid
CID 161312373
methyl 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]acetate
CID 60904481
ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate
CID 103261561
ethyl 3-hydroxy-4-(2-methylsulfanylpropylamino)butanoate
CID 103265433
2-methylpropyl 3-hydroxy-4-methylsulfonyloxybutanoate
CID 15037034
methane;2-methylpropyl 2-(methylamino)acetate
CID 162173386
ethyl 3-hydroxy-4-(2-methylsulfinylpropylamino)butanoate
CID 103265700
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
[3-[(2-amino-2-oxoethyl)amino]-2-hydroxypropyl]sulfonyloxidanium
CID 161312374
bis(2-methylpropyl) (2S)-2-aminobutanedioate
CID 15607405
2-(5-methylhexylamino)acetamide
CID 115325450
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate?
The IUPAC name of 2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate (CID 21279281) is 2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate.
What is the SMILES notation for 2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate?
The canonical SMILES for 2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate is CC(C)COC(=O)CC(O)CNCC(N)=O.
What is the InChIKey of 2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate?
The InChIKey is UTOJRIPUJRRDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(2)6-16-10(15)3-8(13)4-12-5-9(11)14/h7-8,12-13H,3-6H2,1-2H3,(H2,11,14).
What are the key properties of 2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate?
2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate has a molecular weight of 232.28 g/mol, XLogP of -0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(2-amino-2-oxoethyl)amino]-3-hydroxybutanoate is sourced from PubChem (CID 21279281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).