tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate

C11H22N2O3 — CID 166149628

IUPACtert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C[C@@H](N)CO)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-8(6-13)4-9(12)7-14/h8-9,14H,4-7,12H2,1-3H3/t9-/m1/s1
InChIKeySWYDKTPYHUZRIA-SECBINFHSA-N
MW230.31 g/mol
LogP0.56
Rot. Bonds3

About tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate

tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate (PubChem CID 166149628) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate
PubChem CID166149628
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C[C@@H](N)CO)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-8(6-13)4-9(12)7-14/h8-9,14H,4-7,12H2,1-3H3/t9-/m1/s1
InChIKeySWYDKTPYHUZRIA-SECBINFHSA-N
XLogP0.56
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-amino-3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 166756850
tert-butyl 3-(3-hydroxy-2-methylpropyl)azetidine-1-carboxylate
CID 68759266
tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate
CID 83910033
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 3-[(2S)-2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]propyl]azetidine-1-carboxylate
CID 164639429
tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;2-methylpentane
CID 174865943
tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate
CID 166729062
tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
CID 86332880
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
CID 115050049
tert-butyl 3-(2-aminopropyl)azepane-1-carboxylate
CID 83913154
tert-butyl (3R,5S)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxylate
CID 118006982

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate (CID 166149628) is tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C[C@@H](N)CO)C1.
What is the InChIKey of tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate?
The InChIKey is SWYDKTPYHUZRIA-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-8(6-13)4-9(12)7-14/h8-9,14H,4-7,12H2,1-3H3/t9-/m1/s1.
What are the key properties of tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate?
tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate is sourced from PubChem (CID 166149628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).