tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate

C15H23NO4 — CID 11044202

IUPACtert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate
SMILESCOc1ccc(C[C@@H](CO)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-12(10-17)9-11-5-7-13(19-4)8-6-11/h5-8,12,17H,9-10H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyPDULSURPMKMHCI-LBPRGKRZSA-N
MW281.35 g/mol
LogP2.12
Rot. Bonds5

About tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate (PubChem CID 11044202) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate
PubChem CID11044202
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate
SMILESCOc1ccc(C[C@@H](CO)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-12(10-17)9-11-5-7-13(19-4)8-6-11/h5-8,12,17H,9-10H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyPDULSURPMKMHCI-LBPRGKRZSA-N
XLogP2.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate (CID 11044202) is tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate is COc1ccc(C[C@@H](CO)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate?
The InChIKey is PDULSURPMKMHCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-12(10-17)9-11-5-7-13(19-4)8-6-11/h5-8,12,17H,9-10H2,1-4H3,(H,16,18)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate has a molecular weight of 281.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 11044202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).