tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate

C9H19NO4 — CID 87884669

IUPACtert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate
SMILESCOC(C)C(O)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO4/c1-6(13-5)7(11)10-8(12)14-9(2,3)4/h6-7,11H,1-5H3,(H,10,12)
InChIKeyTZDCOZKSZMJYAA-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.86
Rot. Bonds3

About tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate

tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate (PubChem CID 87884669) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate
PubChem CID87884669
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nametert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate
SMILESCOC(C)C(O)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO4/c1-6(13-5)7(11)10-8(12)14-9(2,3)4/h6-7,11H,1-5H3,(H,10,12)
InChIKeyTZDCOZKSZMJYAA-UHFFFAOYSA-N
XLogP0.86
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
methyl (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87786553
tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate
CID 164707019
tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate
CID 107250414
tert-butyl N-[(2S)-1-bromo-1-methoxypropan-2-yl]carbamate
CID 175914357
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate
CID 141468763
tert-butyl N-[(3S,4R)-1-amino-4-hydroxy-1,2-dioxopentan-3-yl]carbamate
CID 130405478
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate (CID 87884669) is tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate is COC(C)C(O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate?
The InChIKey is TZDCOZKSZMJYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-6(13-5)7(11)10-8(12)14-9(2,3)4/h6-7,11H,1-5H3,(H,10,12).
What are the key properties of tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate?
tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate has a molecular weight of 205.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate is sourced from PubChem (CID 87884669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).