(2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide

C13H25FN2O3 — CID 134289430

IUPAC(2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide
SMILESCOC[C@@H]1CCC(NC(=O)[C@@H](C)NCCCF)CO1
InChIInChI=1S/C13H25FN2O3/c1-10(15-7-3-6-14)13(17)16-11-4-5-12(9-18-2)19-8-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)/t10-,11?,12+/m1/s1
InChIKeyITAGVIVIOWPHAP-LWALXPGCSA-N
MW276.35 g/mol
LogP0.63
Rot. Bonds8

About (2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide

(2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide (PubChem CID 134289430) has the molecular formula C13H25FN2O3 and a molecular weight of 276.35 g/mol. Its IUPAC name is (2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide
PubChem CID134289430
Molecular FormulaC13H25FN2O3
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name(2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide
SMILESCOC[C@@H]1CCC(NC(=O)[C@@H](C)NCCCF)CO1
InChIInChI=1S/C13H25FN2O3/c1-10(15-7-3-6-14)13(17)16-11-4-5-12(9-18-2)19-8-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)/t10-,11?,12+/m1/s1
InChIKeyITAGVIVIOWPHAP-LWALXPGCSA-N
XLogP0.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide?
The IUPAC name of (2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide (CID 134289430) is (2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide?
The canonical SMILES for (2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide is COC[C@@H]1CCC(NC(=O)[C@@H](C)NCCCF)CO1.
What is the InChIKey of (2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide?
The InChIKey is ITAGVIVIOWPHAP-LWALXPGCSA-N. The full InChI is InChI=1S/C13H25FN2O3/c1-10(15-7-3-6-14)13(17)16-11-4-5-12(9-18-2)19-8-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)/t10-,11?,12+/m1/s1.
What are the key properties of (2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide?
(2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide has a molecular weight of 276.35 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluoropropylamino)-N-[(6S)-6-(methoxymethyl)oxan-3-yl]propanamide is sourced from PubChem (CID 134289430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).