tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate

C13H27NO3 — CID 66337596

IUPACtert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
SMILESCOCC(NC(C)C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H27NO3/c1-9(2)11(8-16-7)14-10(3)12(15)17-13(4,5)6/h9-11,14H,8H2,1-7H3
InChIKeyANGBYTYXRMZKNS-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.98
Rot. Bonds6

About tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate

tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate (PubChem CID 66337596) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
PubChem CID66337596
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nametert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
SMILESCOCC(NC(C)C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H27NO3/c1-9(2)11(8-16-7)14-10(3)12(15)17-13(4,5)6/h9-11,14H,8H2,1-7H3
InChIKeyANGBYTYXRMZKNS-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate
CID 115642073
tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate
CID 103903785
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
CID 115929791
N,N-diethyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
CID 65049413
tert-butyl N-[(2R,3R)-3-amino-1-methoxybutan-2-yl]carbamate
CID 131733528
tert-butyl 2-(2-methylpropylamino)propanoate
CID 64688335
2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide
CID 65049236
tert-butyl 2-(methoxyamino)propanoate
CID 64688772
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
tert-butyl (2R)-2-(4-methoxybutanoylamino)propanoate
CID 81003909
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate?
The IUPAC name of tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate (CID 66337596) is tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate is COCC(NC(C)C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate?
The InChIKey is ANGBYTYXRMZKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-9(2)11(8-16-7)14-10(3)12(15)17-13(4,5)6/h9-11,14H,8H2,1-7H3.
What are the key properties of tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate?
tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate has a molecular weight of 245.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate is sourced from PubChem (CID 66337596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).