tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate

C12H25NO3 — CID 115685980

IUPACtert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate
SMILESCC(C)N(CCO)CCC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-10(2)13(8-9-14)7-6-11(15)16-12(3,4)5/h10,14H,6-9H2,1-5H3
InChIKeyKSZXRNUYJKOZHO-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.42
Rot. Bonds6

About tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate

tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate (PubChem CID 115685980) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate
PubChem CID115685980
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate
SMILESCC(C)N(CCO)CCC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-10(2)13(8-9-14)7-6-11(15)16-12(3,4)5/h10,14H,6-9H2,1-5H3
InChIKeyKSZXRNUYJKOZHO-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate
CID 115590839
tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
CID 115590874
tert-butyl 3-[bis(2-methylpropyl)amino]propanoate
CID 113226672
tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate
CID 106707073
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate
CID 141040791
tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate
CID 115590841
tert-butyl 3-[1-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 174810655
tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 137334038
tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate
CID 103249343
N-ethyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 62326642
tert-butyl 16-hydroxyhexadecanoate
CID 118542708

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate?
The IUPAC name of tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate (CID 115685980) is tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate is CC(C)N(CCO)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate?
The InChIKey is KSZXRNUYJKOZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(2)13(8-9-14)7-6-11(15)16-12(3,4)5/h10,14H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate?
tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate has a molecular weight of 231.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate is sourced from PubChem (CID 115685980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).