tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate

C10H21NO5 — CID 19691499

IUPACtert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
SMILESCOCOCC(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO5/c1-10(2,3)16-9(13)11-8(5-12)6-15-7-14-4/h8,12H,5-7H2,1-4H3,(H,11,13)
InChIKeyRFSMSDQWSLCQLY-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.49
Rot. Bonds6

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

tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate (PubChem CID 19691499) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
PubChem CID19691499
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Nametert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
SMILESCOCOCC(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO5/c1-10(2,3)16-9(13)11-8(5-12)6-15-7-14-4/h8,12H,5-7H2,1-4H3,(H,11,13)
InChIKeyRFSMSDQWSLCQLY-UHFFFAOYSA-N
XLogP0.49
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
CID 177407603
tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate
CID 101232205
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[(2R)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate
CID 51387393
tert-butyl N-(4-amino-1-hydroxy-4-oxobutan-2-yl)carbamate
CID 53396005
tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate
CID 72529602
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
CID 86663657
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl N-[1-(hydroxymethoxy)-3-sulfanylpropan-2-yl]carbamate
CID 88898467
tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate
CID 20792131
tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate
CID 87420750

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate (CID 19691499) is tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate is COCOCC(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate?
The InChIKey is RFSMSDQWSLCQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-10(2,3)16-9(13)11-8(5-12)6-15-7-14-4/h8,12H,5-7H2,1-4H3,(H,11,13).
What are the key properties of tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate?
tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate has a molecular weight of 235.28 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate is sourced from PubChem (CID 19691499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).