tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate

C11H23NO3 — CID 158447815

IUPACtert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate
SMILESCO[C@H](C)[C@@H](CN)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(14-5)9(7-12)6-10(13)15-11(2,3)4/h8-9H,6-7,12H2,1-5H3/t8-,9-/m1/s1
InChIKeyUACZHVHSBVZDOO-RKDXNWHRSA-N
MW217.31 g/mol
LogP1.33
Rot. Bonds5

About tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate

tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate (PubChem CID 158447815) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate
PubChem CID158447815
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate
SMILESCO[C@H](C)[C@@H](CN)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(14-5)9(7-12)6-10(13)15-11(2,3)4/h8-9H,6-7,12H2,1-5H3/t8-,9-/m1/s1
InChIKeyUACZHVHSBVZDOO-RKDXNWHRSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-amino-3-methoxybutanoate
CID 102921115
(2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 58289532
tert-butyl (3S)-3-(methoxymethyl)-4-methylpentanoate
CID 123336860
tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate
CID 59026228
tert-butyl (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 122164368
tert-butyl 3,3-diaminopropanoate
CID 57031897
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl 6-amino-3,5-dihydroxyhexanoate
CID 87112903
ethyl (4S)-3-(aminomethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 130293337
[1-methoxy-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]phosphanium
CID 123691775
tert-butyl (3S,4S,5S)-4-amino-3-methoxy-5-methylheptanoate
CID 126961489
tert-butyl (3R)-3-methylpentanoate
CID 158245009

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate?
The IUPAC name of tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate (CID 158447815) is tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate.
What is the SMILES notation for tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate?
The canonical SMILES for tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate is CO[C@H](C)[C@@H](CN)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate?
The InChIKey is UACZHVHSBVZDOO-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(14-5)9(7-12)6-10(13)15-11(2,3)4/h8-9H,6-7,12H2,1-5H3/t8-,9-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate?
tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate is sourced from PubChem (CID 158447815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).