tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate

C15H29NO3 — CID 59522935

IUPACtert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](CO)CC1CCCCC1
InChIInChI=1S/C15H29NO3/c1-15(2,3)19-14(18)16-10-13(11-17)9-12-7-5-4-6-8-12/h12-13,17H,4-11H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyKFBQUFLKEOJLNA-ZDUSSCGKSA-N
MW271.40 g/mol
LogP3.09
Rot. Bonds5

About tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate

tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate (PubChem CID 59522935) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate
PubChem CID59522935
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](CO)CC1CCCCC1
InChIInChI=1S/C15H29NO3/c1-15(2,3)19-14(18)16-10-13(11-17)9-12-7-5-4-6-8-12/h12-13,17H,4-11H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyKFBQUFLKEOJLNA-ZDUSSCGKSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate (CID 59522935) is tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate is CC(C)(C)OC(=O)NC[C@@H](CO)CC1CCCCC1.
What is the InChIKey of tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate?
The InChIKey is KFBQUFLKEOJLNA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29NO3/c1-15(2,3)19-14(18)16-10-13(11-17)9-12-7-5-4-6-8-12/h12-13,17H,4-11H2,1-3H3,(H,16,18)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate?
tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate has a molecular weight of 271.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate is sourced from PubChem (CID 59522935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).