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

C16H26N2O4 — CID 135237356

IUPAC(3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCN(C(=O)C1CCCC1)[C@H]1COC2(CCN(C(=O)O)CC2)C1
InChIInChI=1S/C16H26N2O4/c1-17(14(19)12-4-2-3-5-12)13-10-16(22-11-13)6-8-18(9-7-16)15(20)21/h12-13H,2-11H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyPZSPMTJNKHBMNC-CYBMUJFWSA-N
MW310.39 g/mol
LogP1.94
Rot. Bonds2

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

(3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 135237356) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is (3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID135237356
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name(3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCN(C(=O)C1CCCC1)[C@H]1COC2(CCN(C(=O)O)CC2)C1
InChIInChI=1S/C16H26N2O4/c1-17(14(19)12-4-2-3-5-12)13-10-16(22-11-13)6-8-18(9-7-16)15(20)21/h12-13H,2-11H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyPZSPMTJNKHBMNC-CYBMUJFWSA-N
XLogP1.94
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 68609344
[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone
CID 97487855
1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131133
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-hydroxycyclobutyl)methanone
CID 131690369
3-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid
CID 146302873
cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124983182
3-[(E)-N'-hydroxycarbamimidoyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 87514376
(3R)-3-[benzenesulfonyl(ethyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126505839
1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
CID 131690386
4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
CID 68806542
4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115270026
2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 66665348

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of (3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 135237356) is (3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for (3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for (3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is CN(C(=O)C1CCCC1)[C@H]1COC2(CCN(C(=O)O)CC2)C1.
What is the InChIKey of (3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is PZSPMTJNKHBMNC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-17(14(19)12-4-2-3-5-12)13-10-16(22-11-13)6-8-18(9-7-16)15(20)21/h12-13H,2-11H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
(3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 310.39 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[cyclopentanecarbonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 135237356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).