tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate

C10H19NO4 — CID 163325198

IUPACtert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate
SMILESCC(C)(C)OC(=O)CC(N)C1(O)COC1
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(12)4-7(11)10(13)5-14-6-10/h7,13H,4-6,11H2,1-3H3
InChIKeyIFJWNKSGGWAKOS-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.19
Rot. Bonds3

About tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate

tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate (PubChem CID 163325198) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate
PubChem CID163325198
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate
SMILESCC(C)(C)OC(=O)CC(N)C1(O)COC1
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(12)4-7(11)10(13)5-14-6-10/h7,13H,4-6,11H2,1-3H3
InChIKeyIFJWNKSGGWAKOS-UHFFFAOYSA-N
XLogP-0.19
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3,3-diaminopropanoate
CID 57031897
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl (3S)-3-amino-4,4-dihydroxybutanoate
CID 139456392
tert-butyl (3S)-3,4-diamino-4-oxobutanoate
CID 7019655
ditert-butyl (3S)-3-amino-2-oxopentanedioate
CID 175802480
tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
CID 137480139
4-O-tert-butyl 1-O-methyl (2S)-2-[[3-(nitromethyl)oxetan-3-yl]amino]butanedioate
CID 135031824
tert-butyl (3S)-3-amino-4-(2-methylpropylamino)-4-oxobutanoate
CID 54442408
tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate
CID 88580512
tert-butyl 3-(1-hydroxycyclobutyl)propanoate
CID 10910542
tert-butyl (3R)-3-aminohex-4-enoate
CID 2733827

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate?
The IUPAC name of tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate (CID 163325198) is tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate.
What is the SMILES notation for tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate?
The canonical SMILES for tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate is CC(C)(C)OC(=O)CC(N)C1(O)COC1.
What is the InChIKey of tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate?
The InChIKey is IFJWNKSGGWAKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,3)15-8(12)4-7(11)10(13)5-14-6-10/h7,13H,4-6,11H2,1-3H3.
What are the key properties of tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate?
tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate has a molecular weight of 217.26 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate is sourced from PubChem (CID 163325198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).