tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate

C10H21NO3 — CID 58234342

IUPACtert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate
SMILESCC(C)(C)OC(=O)C[C@H](CO)CCN
InChIInChI=1S/C10H21NO3/c1-10(2,3)14-9(13)6-8(7-12)4-5-11/h8,12H,4-7,11H2,1-3H3/t8-/m1/s1
InChIKeyORGOUQPWZADAFW-MRVPVSSYSA-N
MW203.28 g/mol
LogP0.68
Rot. Bonds5

About tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate

tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate (PubChem CID 58234342) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate.

Molecular Properties

Compound Nametert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate
PubChem CID58234342
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate
SMILESCC(C)(C)OC(=O)C[C@H](CO)CCN
InChIInChI=1S/C10H21NO3/c1-10(2,3)14-9(13)6-8(7-12)4-5-11/h8,12H,4-7,11H2,1-3H3/t8-/m1/s1
InChIKeyORGOUQPWZADAFW-MRVPVSSYSA-N
XLogP0.68
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate?
The IUPAC name of tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate (CID 58234342) is tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate.
What is the SMILES notation for tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate?
The canonical SMILES for tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate is CC(C)(C)OC(=O)C[C@H](CO)CCN.
What is the InChIKey of tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate?
The InChIKey is ORGOUQPWZADAFW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-10(2,3)14-9(13)6-8(7-12)4-5-11/h8,12H,4-7,11H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate?
tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate has a molecular weight of 203.28 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate is sourced from PubChem (CID 58234342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).