benzyl N-(3-hydroxybutyl)carbamate

C12H17NO3 — CID 54160471

IUPACbenzyl N-(3-hydroxybutyl)carbamate
SMILESCC(O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(14)7-8-13-12(15)16-9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKeyOOAUELNSZVJUDM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.68
Rot. Bonds5

About benzyl N-(3-hydroxybutyl)carbamate

benzyl N-(3-hydroxybutyl)carbamate (PubChem CID 54160471) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is benzyl N-(3-hydroxybutyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-hydroxybutyl)carbamate
PubChem CID54160471
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namebenzyl N-(3-hydroxybutyl)carbamate
SMILESCC(O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(14)7-8-13-12(15)16-9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKeyOOAUELNSZVJUDM-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl N-(3,4-dihydroxybutyl)carbamate
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CID 59918495
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
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diethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]propanedioate
CID 10903835
benzyl N-[(3S)-3-hydroxypent-4-enyl]carbamate
CID 11042699
benzyl N-[3-(methoxymethoxy)butyl]carbamate
CID 173199640
benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate
CID 134268781
benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
CID 14037134
benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate
CID 153495639
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate
CID 70035125

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-hydroxybutyl)carbamate?
The IUPAC name of benzyl N-(3-hydroxybutyl)carbamate (CID 54160471) is benzyl N-(3-hydroxybutyl)carbamate.
What is the SMILES notation for benzyl N-(3-hydroxybutyl)carbamate?
The canonical SMILES for benzyl N-(3-hydroxybutyl)carbamate is CC(O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-hydroxybutyl)carbamate?
The InChIKey is OOAUELNSZVJUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10(14)7-8-13-12(15)16-9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15).
What are the key properties of benzyl N-(3-hydroxybutyl)carbamate?
benzyl N-(3-hydroxybutyl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-hydroxybutyl)carbamate is sourced from PubChem (CID 54160471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).