tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate

C19H23NO3 — CID 91229930

IUPACtert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate
SMILESCC(C)(C)OC(=O)C(N)c1cccc(-c2ccc(CO)cc2)c1
InChIInChI=1S/C19H23NO3/c1-19(2,3)23-18(22)17(20)16-6-4-5-15(11-16)14-9-7-13(12-21)8-10-14/h4-11,17,21H,12,20H2,1-3H3
InChIKeyCQMQHEWGBDYPMQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.19
Rot. Bonds4

About tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate

tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate (PubChem CID 91229930) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate
PubChem CID91229930
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nametert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate
SMILESCC(C)(C)OC(=O)C(N)c1cccc(-c2ccc(CO)cc2)c1
InChIInChI=1S/C19H23NO3/c1-19(2,3)23-18(22)17(20)16-6-4-5-15(11-16)14-9-7-13(12-21)8-10-14/h4-11,17,21H,12,20H2,1-3H3
InChIKeyCQMQHEWGBDYPMQ-UHFFFAOYSA-N
XLogP3.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azane;tert-butyl 2-amino-2-[4-(aminomethyl)phenyl]acetate
CID 166772320
tert-butyl 3-amino-3-(3-phenylphenyl)propanoate
CID 90850657
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
3-[4-[3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoic acid
CID 123194138
3-[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 118703205
3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
CID 172740220
3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide
CID 39782664
tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate
CID 70279325
tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
CID 59206790
4-O-tert-butyl 1-O-methyl 2-amino-3-[(4-phenylphenyl)methyl]butanedioate
CID 70084320
tert-butyl 2-amino-2-(4-bromophenyl)acetate
CID 90487455

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate?
The IUPAC name of tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate (CID 91229930) is tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate.
What is the SMILES notation for tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate?
The canonical SMILES for tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate is CC(C)(C)OC(=O)C(N)c1cccc(-c2ccc(CO)cc2)c1.
What is the InChIKey of tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate?
The InChIKey is CQMQHEWGBDYPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-19(2,3)23-18(22)17(20)16-6-4-5-15(11-16)14-9-7-13(12-21)8-10-14/h4-11,17,21H,12,20H2,1-3H3.
What are the key properties of tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate?
tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate has a molecular weight of 313.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate is sourced from PubChem (CID 91229930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).