tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate

C12H25NO3 — CID 103903785

IUPACtert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate
SMILESCOC(C)C(C)N[C@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-8(10(3)15-7)13-9(2)11(14)16-12(4,5)6/h8-10,13H,1-7H3/t8?,9-,10?/m1/s1
InChIKeyZAGQCTUJUCGQLJ-HWOCKDDLSA-N
MW231.34 g/mol
LogP1.73
Rot. Bonds5

About tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate

tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate (PubChem CID 103903785) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate
PubChem CID103903785
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate
SMILESCOC(C)C(C)N[C@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-8(10(3)15-7)13-9(2)11(14)16-12(4,5)6/h8-10,13H,1-7H3/t8?,9-,10?/m1/s1
InChIKeyZAGQCTUJUCGQLJ-HWOCKDDLSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(methoxyamino)propanoate
CID 64688772
tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 66337596
tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782950
tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 91979491
tert-butyl 2-(2-methylpropylamino)propanoate
CID 64688335
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
CID 103734836
tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate
CID 102670947
tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
CID 66337597
tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate (CID 103903785) is tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate is COC(C)C(C)N[C@H](C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate?
The InChIKey is ZAGQCTUJUCGQLJ-HWOCKDDLSA-N. The full InChI is InChI=1S/C12H25NO3/c1-8(10(3)15-7)13-9(2)11(14)16-12(4,5)6/h8-10,13H,1-7H3/t8?,9-,10?/m1/s1.
What are the key properties of tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate?
tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate has a molecular weight of 231.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate is sourced from PubChem (CID 103903785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).