ethyl N-(2-hydroxy-3-methylbutyl)carbamate

C8H17NO3 — CID 112702713

IUPACethyl N-(2-hydroxy-3-methylbutyl)carbamate
SMILESCCOC(=O)NCC(O)C(C)C
InChIInChI=1S/C8H17NO3/c1-4-12-8(11)9-5-7(10)6(2)3/h6-7,10H,4-5H2,1-3H3,(H,9,11)
InChIKeyNEMZPGDKGASEEV-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.75
Rot. Bonds4

About ethyl N-(2-hydroxy-3-methylbutyl)carbamate

ethyl N-(2-hydroxy-3-methylbutyl)carbamate (PubChem CID 112702713) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl N-(2-hydroxy-3-methylbutyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-hydroxy-3-methylbutyl)carbamate
PubChem CID112702713
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl N-(2-hydroxy-3-methylbutyl)carbamate
SMILESCCOC(=O)NCC(O)C(C)C
InChIInChI=1S/C8H17NO3/c1-4-12-8(11)9-5-7(10)6(2)3/h6-7,10H,4-5H2,1-3H3,(H,9,11)
InChIKeyNEMZPGDKGASEEV-UHFFFAOYSA-N
XLogP0.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
azane;ethyl N-ethylcarbamate
CID 88547448
ethyl N-(2-amino-4-methylpentyl)carbamate
CID 107158934
ethyl N-(2-chloro-3,3-dimethylbutyl)carbamate
CID 15577177
4-(ethoxycarbonylamino)-3-methylbutanoic acid
CID 81065891
ethyl N-(2-dimethoxysilylpropyl)carbamate
CID 154176562
N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
ethyl N-(2-diethoxysilylpropyl)carbamate
CID 154255932
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
ethyl N-[2-(2-bromoacetyl)-4-methylpentyl]carbamate
CID 104701711
ethyl N-(2-pyrrolidin-1-ylbut-3-ynyl)carbamate
CID 572521
ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate
CID 90216301

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-hydroxy-3-methylbutyl)carbamate?
The IUPAC name of ethyl N-(2-hydroxy-3-methylbutyl)carbamate (CID 112702713) is ethyl N-(2-hydroxy-3-methylbutyl)carbamate.
What is the SMILES notation for ethyl N-(2-hydroxy-3-methylbutyl)carbamate?
The canonical SMILES for ethyl N-(2-hydroxy-3-methylbutyl)carbamate is CCOC(=O)NCC(O)C(C)C.
What is the InChIKey of ethyl N-(2-hydroxy-3-methylbutyl)carbamate?
The InChIKey is NEMZPGDKGASEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-12-8(11)9-5-7(10)6(2)3/h6-7,10H,4-5H2,1-3H3,(H,9,11).
What are the key properties of ethyl N-(2-hydroxy-3-methylbutyl)carbamate?
ethyl N-(2-hydroxy-3-methylbutyl)carbamate has a molecular weight of 175.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-hydroxy-3-methylbutyl)carbamate is sourced from PubChem (CID 112702713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).