tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate

C10H21NO4 — CID 103237046

IUPACtert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
SMILESCC(C)(C)OC(=O)CCNC(CO)CO
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(14)4-5-11-8(6-12)7-13/h8,11-13H,4-7H2,1-3H3
InChIKeyTYBINILEBXZFTN-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.34
Rot. Bonds6

About tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate

tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate (PubChem CID 103237046) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
PubChem CID103237046
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
SMILESCC(C)(C)OC(=O)CCNC(CO)CO
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(14)4-5-11-8(6-12)7-13/h8,11-13H,4-7H2,1-3H3
InChIKeyTYBINILEBXZFTN-UHFFFAOYSA-N
XLogP-0.34
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(pentan-2-ylamino)propanoate
CID 46318488
tert-butyl 3-(4-methylsulfanylbutan-2-ylamino)propanoate
CID 103265875
tert-butyl 3-(methoxyamino)propanoate
CID 10751000
tert-butyl 3-(3-hydroxypropylamino)propanoate
CID 18940757
tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate
CID 104864475
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate
CID 103268735
tert-butyl 3-(2,2-dimethylpropanoylamino)propanoate
CID 79005634
tert-butyl 3-(4-hydroxybutylamino)propanoate
CID 106842831
tert-butyl 3-[(3-hydroxy-2-methylbutan-2-yl)amino]propanoate
CID 103266680
ditert-butyl pentanedioate
CID 3016405
tert-butyl 3-(propylamino)propanoate;ethane
CID 143325364

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate?
The IUPAC name of tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate (CID 103237046) is tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate?
The canonical SMILES for tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate is CC(C)(C)OC(=O)CCNC(CO)CO.
What is the InChIKey of tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate?
The InChIKey is TYBINILEBXZFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2,3)15-9(14)4-5-11-8(6-12)7-13/h8,11-13H,4-7H2,1-3H3.
What are the key properties of tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate?
tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate has a molecular weight of 219.28 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate is sourced from PubChem (CID 103237046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).