tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate

C14H20ClNO3 — CID 7016522

IUPACtert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CCO)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-14(2,3)19-13(18)16-12(8-9-17)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyRDWWIQVAGHYANA-GFCCVEGCSA-N
MW285.77 g/mol
LogP3.29
Rot. Bonds4

About tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate

tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate (PubChem CID 7016522) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate
PubChem CID7016522
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nametert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CCO)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-14(2,3)19-13(18)16-12(8-9-17)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyRDWWIQVAGHYANA-GFCCVEGCSA-N
XLogP3.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
1,1-Dimethylethyl N-((1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl)carbamate
CID 7146645
ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
CID 50917500
tert-Butyl (2-hydroxy-1-phenylethyl)carbamate
CID 5050210
(S)-2-((N-tert-Butoxycarbonyl)amino)-2-phenylethanol
CID 7016462
tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate
CID 102153759
Boc-(S)-3-Amino-4-(4-chloro-phenyl)-butyric acid
CID 2761571
Boc-(R)-3-Amino-3-(4-chlorophenyl)propionic acid
CID 2761722
3-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid
CID 3745697
(S)-3-((tert-butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid
CID 7010273
tert-butyl N-(1-(4-chlorophenyl)-3-hydroxypropyl)carbamate
CID 24729691
tert-butyl N-[2-amino-1-(4-chlorophenyl)ethyl]carbamate
CID 57750386

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate (CID 7016522) is tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate is CC(C)(C)OC(=O)N[C@H](CCO)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate?
The InChIKey is RDWWIQVAGHYANA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-14(2,3)19-13(18)16-12(8-9-17)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate?
tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate has a molecular weight of 285.77 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]carbamate is sourced from PubChem (CID 7016522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).