tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate

C14H29NO6 — CID 15458662

IUPACtert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate
SMILESCC[C@H](OCOCCOC)[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO6/c1-6-12(20-10-19-8-7-18-5)11(9-16)15-13(17)21-14(2,3)4/h11-12,16H,6-10H2,1-5H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyKCZBRAJGFYCIRY-RYUDHWBXSA-N
MW307.39 g/mol
LogP1.29
Rot. Bonds10

About tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate

tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate (PubChem CID 15458662) has the molecular formula C14H29NO6 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate
PubChem CID15458662
Molecular FormulaC14H29NO6
Molecular Weight307.39 g/mol
Exact Mass307.20
IUPAC Nametert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate
SMILESCC[C@H](OCOCCOC)[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO6/c1-6-12(20-10-19-8-7-18-5)11(9-16)15-13(17)21-14(2,3)4/h11-12,16H,6-10H2,1-5H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyKCZBRAJGFYCIRY-RYUDHWBXSA-N
XLogP1.29
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-4-(2-methoxyethoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 11131463
tert-butyl N-[(2S,3S,4S,5R)-3,4,5-tris(ethoxymethoxy)-1,7-dihydroxyheptan-2-yl]carbamate
CID 57385689
tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate
CID 101373624
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate
CID 130004044
tert-butyl N-[(2R,3S)-1,3-dihydroxy-4-methylpentan-2-yl]carbamate
CID 14310881
tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
CID 19691499
tert-butyl N-[(E,2S,3R)-1-hydroxy-3-(methoxymethoxy)octadec-4-en-2-yl]carbamate
CID 44551220
(3R,4S)-5-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118054348
tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 87666537
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate (CID 15458662) is tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate is CC[C@H](OCOCCOC)[C@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate?
The InChIKey is KCZBRAJGFYCIRY-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H29NO6/c1-6-12(20-10-19-8-7-18-5)11(9-16)15-13(17)21-14(2,3)4/h11-12,16H,6-10H2,1-5H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 1.29, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-1-hydroxy-3-(2-methoxyethoxymethoxy)pentan-2-yl]carbamate is sourced from PubChem (CID 15458662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).