N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C14H23NO4 — CID 100701479

IUPACN-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC(CO)CC1CCCC1)C1=COCCO1
InChIInChI=1S/C14H23NO4/c16-9-12(7-11-3-1-2-4-11)8-15-14(17)13-10-18-5-6-19-13/h10-12,16H,1-9H2,(H,15,17)
InChIKeyRGOUUGXXFHOOBL-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.18
Rot. Bonds6

About N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 100701479) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID100701479
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC NameN-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC(CO)CC1CCCC1)C1=COCCO1
InChIInChI=1S/C14H23NO4/c16-9-12(7-11-3-1-2-4-11)8-15-14(17)13-10-18-5-6-19-13/h10-12,16H,1-9H2,(H,15,17)
InChIKeyRGOUUGXXFHOOBL-UHFFFAOYSA-N
XLogP1.18
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 100701479) is N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCC(CO)CC1CCCC1)C1=COCCO1.
What is the InChIKey of N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is RGOUUGXXFHOOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-9-12(7-11-3-1-2-4-11)8-15-14(17)13-10-18-5-6-19-13/h10-12,16H,1-9H2,(H,15,17).
What are the key properties of N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 100701479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).