tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate

C12H25NO3 — CID 103266680

IUPACtert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate
SMILESCC(O)C(C)(C)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-9(14)12(5,6)13-8-7-10(15)16-11(2,3)4/h9,13-14H,7-8H2,1-6H3
InChIKeyRWSCACSVOFWUEV-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.47
Rot. Bonds5

About tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate

tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate (PubChem CID 103266680) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate
PubChem CID103266680
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate
SMILESCC(O)C(C)(C)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-9(14)12(5,6)13-8-7-10(15)16-11(2,3)4/h9,13-14H,7-8H2,1-6H3
InChIKeyRWSCACSVOFWUEV-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
CID 103237046
tert-butyl 3-(methoxyamino)propanoate
CID 10751000
tert-butyl 3-(pentan-2-ylamino)propanoate
CID 46318488
tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl 3-(2,2-dimethylpropanoylamino)propanoate
CID 79005634
(2S)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58818226
tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate
CID 103249343
tert-butyl 3-(2-pyrrolidin-1-ylpropylamino)propanoate
CID 103259516
tert-butyl 3-(7-methyloctylamino)propanoate
CID 114004290
ditert-butyl pentanedioate
CID 3016405
tert-butyl 3-(propylamino)propanoate;ethane
CID 143325364
tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate
CID 104864475

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate?
The IUPAC name of tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate (CID 103266680) is tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate is CC(O)C(C)(C)NCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate?
The InChIKey is RWSCACSVOFWUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(14)12(5,6)13-8-7-10(15)16-11(2,3)4/h9,13-14H,7-8H2,1-6H3.
What are the key properties of tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate?
tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate has a molecular weight of 231.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate is sourced from PubChem (CID 103266680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).