benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate

C14H19NO3 — CID 162413576

IUPACbenzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate
SMILESC=C[C@H](O)CCCNC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-2-13(16)9-6-10-15-14(17)18-11-12-7-4-3-5-8-12/h2-5,7-8,13,16H,1,6,9-11H2,(H,15,17)/t13-/m0/s1
InChIKeyIERAOGSNCJFQCV-ZDUSSCGKSA-N
MW249.31 g/mol
LogP2.24
Rot. Bonds7

About benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate

benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate (PubChem CID 162413576) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate
PubChem CID162413576
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate
SMILESC=C[C@H](O)CCCNC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-2-13(16)9-6-10-15-14(17)18-11-12-7-4-3-5-8-12/h2-5,7-8,13,16H,1,6,9-11H2,(H,15,17)/t13-/m0/s1
InChIKeyIERAOGSNCJFQCV-ZDUSSCGKSA-N
XLogP2.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(3S)-3-hydroxypent-4-enyl]carbamate
CID 11042699
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808146
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-[(2R,3S)-2,3-dihydroxypent-4-enyl]carbamate
CID 14701263
2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67292704
3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 15916886
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
sodium 6-(phenylmethoxycarbonylamino)hexanoate
CID 102088654
benzyl N-(6-methylheptyl)carbamate
CID 59918495

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate?
The IUPAC name of benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate (CID 162413576) is benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate.
What is the SMILES notation for benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate?
The canonical SMILES for benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate is C=C[C@H](O)CCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate?
The InChIKey is IERAOGSNCJFQCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-13(16)9-6-10-15-14(17)18-11-12-7-4-3-5-8-12/h2-5,7-8,13,16H,1,6,9-11H2,(H,15,17)/t13-/m0/s1.
What are the key properties of benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate?
benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate is sourced from PubChem (CID 162413576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).