butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate

C9H19NO4 — CID 88937334

IUPACbutyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
SMILESCCCCOC(=O)N[C@H](CO)COC
InChIInChI=1S/C9H19NO4/c1-3-4-5-14-9(12)10-8(6-11)7-13-2/h8,11H,3-7H2,1-2H3,(H,10,12)/t8-/m1/s1
InChIKeyHARDTOGBBAWJGG-MRVPVSSYSA-N
MW205.25 g/mol
LogP0.52
Rot. Bonds7

About butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate

butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate (PubChem CID 88937334) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
PubChem CID88937334
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Namebutyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
SMILESCCCCOC(=O)N[C@H](CO)COC
InChIInChI=1S/C9H19NO4/c1-3-4-5-14-9(12)10-8(6-11)7-13-2/h8,11H,3-7H2,1-2H3,(H,10,12)/t8-/m1/s1
InChIKeyHARDTOGBBAWJGG-MRVPVSSYSA-N
XLogP0.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 87374830
butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
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benzyl (3S)-3-(butoxycarbonylamino)-4-methoxybutanoate
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butyl N-(1-aminoethyl)carbamate
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methyl (2R)-2-(butoxycarbonylamino)butanoate
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ethyl N-(1-methoxypentan-2-yl)carbamate
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butyl N-(1,3-dihydroxypropan-2-yl)carbamate;butyl N-(2-oxo-1,3-dioxan-5-yl)carbamate
CID 158696484
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)butanamide
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butyl N-(1,3-diazidopropan-2-yl)carbamate
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methyl N-(1-methoxypentan-2-yl)carbamate
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CID 54517423

Frequently Asked Questions

What is the IUPAC name of butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate?
The IUPAC name of butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate (CID 88937334) is butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate.
What is the SMILES notation for butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate?
The canonical SMILES for butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate is CCCCOC(=O)N[C@H](CO)COC.
What is the InChIKey of butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate?
The InChIKey is HARDTOGBBAWJGG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-4-5-14-9(12)10-8(6-11)7-13-2/h8,11H,3-7H2,1-2H3,(H,10,12)/t8-/m1/s1.
What are the key properties of butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate?
butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate has a molecular weight of 205.25 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate is sourced from PubChem (CID 88937334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).