(3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

C14H22N2O5 — CID 126506835

IUPAC(3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESC=CCOC(=O)N(C)[C@H]1COC2(CCN(C(=O)O)CC2)C1
InChIInChI=1S/C14H22N2O5/c1-3-8-20-13(19)15(2)11-9-14(21-10-11)4-6-16(7-5-14)12(17)18/h3,11H,1,4-10H2,2H3,(H,17,18)/t11-/m1/s1
InChIKeyJUFLNLABGCIGRQ-LLVKDONJSA-N
MW298.34 g/mol
LogP1.54
Rot. Bonds3

About (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

(3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 126506835) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID126506835
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name(3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESC=CCOC(=O)N(C)[C@H]1COC2(CCN(C(=O)O)CC2)C1
InChIInChI=1S/C14H22N2O5/c1-3-8-20-13(19)15(2)11-9-14(21-10-11)4-6-16(7-5-14)12(17)18/h3,11H,1,4-10H2,2H3,(H,17,18)/t11-/m1/s1
InChIKeyJUFLNLABGCIGRQ-LLVKDONJSA-N
XLogP1.54
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 135238376
Tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 126502782
tert-butyl (3R)-3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 126502890
prop-2-enyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate
CID 126502891
tert-butyl (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 126502892
(3R)-3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126506666
2-[Methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126527271
6-[Methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126527274
3-(Prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126527528
3-[Methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 135238358
prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate
CID 135238428
Tert-butyl 3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 135240244

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 126506835) is (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is C=CCOC(=O)N(C)[C@H]1COC2(CCN(C(=O)O)CC2)C1.
What is the InChIKey of (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is JUFLNLABGCIGRQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-3-8-20-13(19)15(2)11-9-14(21-10-11)4-6-16(7-5-14)12(17)18/h3,11H,1,4-10H2,2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
(3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 126506835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).