tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate

C13H20N2O3 — CID 20805642

IUPACtert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)C(N)O
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-10(11(14)16)9-7-5-4-6-8-9/h4-8,10-11,16H,14H2,1-3H3,(H,15,17)
InChIKeyKCKGQQPORRIZIX-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.53
Rot. Bonds3

About tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate

tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate (PubChem CID 20805642) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
PubChem CID20805642
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)C(N)O
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-10(11(14)16)9-7-5-4-6-8-9/h4-8,10-11,16H,14H2,1-3H3,(H,15,17)
InChIKeyKCKGQQPORRIZIX-UHFFFAOYSA-N
XLogP1.53
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
(1S,2R)-1-amino-1-phenylpropan-2-ol;tert-butyl N-[(1S,2R)-2-hydroxy-1-phenylpropyl]carbamate
CID 157326736
(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 7010686
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
CID 24788666
tert-butyl N-[(1R)-2,2-dicyano-1-phenylethyl]carbamate
CID 122398460
tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
CID 18378512
methyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56636219
tert-butyl N-[(1R,2R)-2-nitro-1-phenylpropyl]carbamate
CID 102077718
dibenzyl 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
CID 102184281
tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate
CID 135034070

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate (CID 20805642) is tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate is CC(C)(C)OC(=O)NC(c1ccccc1)C(N)O.
What is the InChIKey of tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate?
The InChIKey is KCKGQQPORRIZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-10(11(14)16)9-7-5-4-6-8-9/h4-8,10-11,16H,14H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate?
tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate has a molecular weight of 252.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate is sourced from PubChem (CID 20805642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).