(Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C14H24N2O5 — CID 67712286

IUPAC(Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCC1OC2(CCN(C)CC2)CC1N.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C10H20N2O.C4H4O4/c1-8-9(11)7-10(13-8)3-5-12(2)6-4-10;5-3(6)1-2-4(7)8/h8-9H,3-7,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyZDJMPDHCMMNCHO-BTJKTKAUSA-N
MW300.36 g/mol
LogP0.30
Rot. Bonds2

About (Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

(Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 67712286) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID67712286
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCC1OC2(CCN(C)CC2)CC1N.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C10H20N2O.C4H4O4/c1-8-9(11)7-10(13-8)3-5-12(2)6-4-10;5-3(6)1-2-4(7)8/h8-9H,3-7,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyZDJMPDHCMMNCHO-BTJKTKAUSA-N
XLogP0.30
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 67712286) is (Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is CC1OC2(CCN(C)CC2)CC1N.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is ZDJMPDHCMMNCHO-BTJKTKAUSA-N. The full InChI is InChI=1S/C10H20N2O.C4H4O4/c1-8-9(11)7-10(13-8)3-5-12(2)6-4-10;5-3(6)1-2-4(7)8/h8-9H,3-7,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
(Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 300.36 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 67712286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).