ethyl N-(1-hydroxypropyl)carbamate

C6H13NO3 — CID 87232302

IUPACethyl N-(1-hydroxypropyl)carbamate
SMILESCCOC(=O)NC(O)CC
InChIInChI=1S/C6H13NO3/c1-3-5(8)7-6(9)10-4-2/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyOBOORJJGLVILTD-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.46
Rot. Bonds3

About ethyl N-(1-hydroxypropyl)carbamate

ethyl N-(1-hydroxypropyl)carbamate (PubChem CID 87232302) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is ethyl N-(1-hydroxypropyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-hydroxypropyl)carbamate
PubChem CID87232302
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameethyl N-(1-hydroxypropyl)carbamate
SMILESCCOC(=O)NC(O)CC
InChIInChI=1S/C6H13NO3/c1-3-5(8)7-6(9)10-4-2/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyOBOORJJGLVILTD-UHFFFAOYSA-N
XLogP0.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
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ethyl N-(2,2,2-tribromo-1-hydroxyethyl)carbamate
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ethyl (2R)-2-(ethoxycarbonylamino)-3-oxobutanoate
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ethyl N-[1-(ethoxycarbonylamino)-2-sulfanylideneethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-hydroxypropyl)carbamate?
The IUPAC name of ethyl N-(1-hydroxypropyl)carbamate (CID 87232302) is ethyl N-(1-hydroxypropyl)carbamate.
What is the SMILES notation for ethyl N-(1-hydroxypropyl)carbamate?
The canonical SMILES for ethyl N-(1-hydroxypropyl)carbamate is CCOC(=O)NC(O)CC.
What is the InChIKey of ethyl N-(1-hydroxypropyl)carbamate?
The InChIKey is OBOORJJGLVILTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-5(8)7-6(9)10-4-2/h5,8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of ethyl N-(1-hydroxypropyl)carbamate?
ethyl N-(1-hydroxypropyl)carbamate has a molecular weight of 147.17 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-hydroxypropyl)carbamate is sourced from PubChem (CID 87232302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).