(3S)-3-(pentylamino)oxane-2,6-dione

C10H17NO3 — CID 175445075

IUPAC(3S)-3-(pentylamino)oxane-2,6-dione
SMILESCCCCCN[C@H]1CCC(=O)OC1=O
InChIInChI=1S/C10H17NO3/c1-2-3-4-7-11-8-5-6-9(12)14-10(8)13/h8,11H,2-7H2,1H3/t8-/m0/s1
InChIKeyHPBOPDPALOIDJN-QMMMGPOBSA-N
MW199.25 g/mol
LogP1.00
Rot. Bonds5

About (3S)-3-(pentylamino)oxane-2,6-dione

(3S)-3-(pentylamino)oxane-2,6-dione (PubChem CID 175445075) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3S)-3-(pentylamino)oxane-2,6-dione.

Molecular Properties

Compound Name(3S)-3-(pentylamino)oxane-2,6-dione
PubChem CID175445075
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(3S)-3-(pentylamino)oxane-2,6-dione
SMILESCCCCCN[C@H]1CCC(=O)OC1=O
InChIInChI=1S/C10H17NO3/c1-2-3-4-7-11-8-5-6-9(12)14-10(8)13/h8,11H,2-7H2,1H3/t8-/m0/s1
InChIKeyHPBOPDPALOIDJN-QMMMGPOBSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide
CID 87395765
3-(pentylamino)pyrrolidin-2-one
CID 68641517
3-hexadec-1-enyloxane-2,6-dione
CID 54115063
3-icos-1-enyloxane-2,6-dione
CID 54346397
3-(pentylamino)piperidin-2-one
CID 62093756
3-(dodecylamino)piperidin-2-one
CID 63492267
3-pentyl-oxacyclohexadecane-2,16-dione
CID 20572463
[(3S)-2,6-dioxooxan-3-yl]carbamothioic S-acid
CID 163933241
5-(pentylamino)piperidin-2-one
CID 63662049
1-cyclopentyl-3-(pentylamino)pyrrolidine-2,5-dione
CID 43637430
2-oxo-3-(pentylamino)azetidine-1-sulfonic acid
CID 70418000
1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione
CID 115567309

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(pentylamino)oxane-2,6-dione?
The IUPAC name of (3S)-3-(pentylamino)oxane-2,6-dione (CID 175445075) is (3S)-3-(pentylamino)oxane-2,6-dione.
What is the SMILES notation for (3S)-3-(pentylamino)oxane-2,6-dione?
The canonical SMILES for (3S)-3-(pentylamino)oxane-2,6-dione is CCCCCN[C@H]1CCC(=O)OC1=O.
What is the InChIKey of (3S)-3-(pentylamino)oxane-2,6-dione?
The InChIKey is HPBOPDPALOIDJN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-4-7-11-8-5-6-9(12)14-10(8)13/h8,11H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-(pentylamino)oxane-2,6-dione?
(3S)-3-(pentylamino)oxane-2,6-dione has a molecular weight of 199.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(pentylamino)oxane-2,6-dione is sourced from PubChem (CID 175445075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).