benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate

C13H17NO4 — CID 153495639

IUPACbenzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate
SMILESO=CC[C@H](O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO4/c15-9-7-12(16)6-8-14-13(17)18-10-11-4-2-1-3-5-11/h1-5,9,12,16H,6-8,10H2,(H,14,17)/t12-/m1/s1
InChIKeyXXCSQKBBBAUMCB-GFCCVEGCSA-N
MW251.28 g/mol
LogP1.25
Rot. Bonds7

About benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate

benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate (PubChem CID 153495639) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate
PubChem CID153495639
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namebenzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate
SMILESO=CC[C@H](O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO4/c15-9-7-12(16)6-8-14-13(17)18-10-11-4-2-1-3-5-11/h1-5,9,12,16H,6-8,10H2,(H,14,17)/t12-/m1/s1
InChIKeyXXCSQKBBBAUMCB-GFCCVEGCSA-N
XLogP1.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
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benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate
CID 70035125
benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
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benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid
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benzyl N-[(4R)-4-hydroxyhex-5-enyl]carbamate
CID 162413576
benzyl N-[(3R,4S)-3,4,6-trihydroxy-5-oxohexyl]carbamate
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benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate?
The IUPAC name of benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate (CID 153495639) is benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate?
The canonical SMILES for benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate is O=CC[C@H](O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate?
The InChIKey is XXCSQKBBBAUMCB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO4/c15-9-7-12(16)6-8-14-13(17)18-10-11-4-2-1-3-5-11/h1-5,9,12,16H,6-8,10H2,(H,14,17)/t12-/m1/s1.
What are the key properties of benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate?
benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate has a molecular weight of 251.28 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate is sourced from PubChem (CID 153495639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).