tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate

C14H21NO3 — CID 15391419

IUPACtert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate
SMILESCC(C)(C)OC(=O)CN[C@@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(17)9-15-12(10-16)11-7-5-4-6-8-11/h4-8,12,15-16H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyLEPYQXDESWJZNJ-LBPRGKRZSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds5

About tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate

tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate (PubChem CID 15391419) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate
PubChem CID15391419
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate
SMILESCC(C)(C)OC(=O)CN[C@@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(17)9-15-12(10-16)11-7-5-4-6-8-11/h4-8,12,15-16H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyLEPYQXDESWJZNJ-LBPRGKRZSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4,4-dimethylpentanoate
CID 11267208
tert-butyl 3-(1-phenylpropylamino)propanoate
CID 103785968
tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate
CID 67006160
tert-butyl (3R)-3-anilino-3-phenylpropanoate
CID 134904442
tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate
CID 122135691
tert-butyl 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 113257732
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-1-phenylpropyl]carbamate;dichloromethane
CID 123744820
1-O-benzhydryl 3-O-tert-butyl propanedioate
CID 71746700
tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate
CID 102672525
tert-butyl N-[(2S)-1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101201490
tert-butyl 2-[1-(furan-2-yl)propylamino]acetate
CID 81463030

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate (CID 15391419) is tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate is CC(C)(C)OC(=O)CN[C@@H](CO)c1ccccc1.
What is the InChIKey of tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate?
The InChIKey is LEPYQXDESWJZNJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)9-15-12(10-16)11-7-5-4-6-8-11/h4-8,12,15-16H,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate?
tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate has a molecular weight of 251.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate is sourced from PubChem (CID 15391419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).