butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate

C17H29NO5 — CID 71003906

IUPACbutyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate
SMILESCCCCOC(=O)C(NC(=O)OC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H29NO5/c1-3-4-10-22-15(19)14(18-16(20)21-2)13-7-11-23-17(12-13)8-5-6-9-17/h13-14H,3-12H2,1-2H3,(H,18,20)
InChIKeyKRKGUHSTAKUXLB-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.79
Rot. Bonds6

About butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate

butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate (PubChem CID 71003906) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate
PubChem CID71003906
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Namebutyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate
SMILESCCCCOC(=O)C(NC(=O)OC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H29NO5/c1-3-4-10-22-15(19)14(18-16(20)21-2)13-7-11-23-17(12-13)8-5-6-9-17/h13-14H,3-12H2,1-2H3,(H,18,20)
InChIKeyKRKGUHSTAKUXLB-UHFFFAOYSA-N
XLogP2.79
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate 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

methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
CID 79912845
3-methoxy-2-(6-oxaspiro[4.5]decan-9-yl)-3-oxopropanoic acid
CID 113360322
2-(6-oxaspiro[4.5]decan-9-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 103739444
1-(6-oxaspiro[4.5]decan-9-yl)hexan-1-ol
CID 79912927
(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104610599
methyl (2S)-2-[(7R)-4-oxaspiro[2.5]octan-7-yl]-2-(phenylmethoxycarbonylamino)acetate;methyl (2S)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]-2-(phenylmethoxycarbonylamino)acetate
CID 162106511
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-ol
CID 79913392
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
butyl 2-(3-chloropropoxycarbonylamino)-2-cyclohexylacetate
CID 91736802
2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one
CID 79894342
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184

Frequently Asked Questions

What is the IUPAC name of butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate?
The IUPAC name of butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate (CID 71003906) is butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate.
What is the SMILES notation for butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate?
The canonical SMILES for butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate is CCCCOC(=O)C(NC(=O)OC)C1CCOC2(CCCC2)C1.
What is the InChIKey of butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate?
The InChIKey is KRKGUHSTAKUXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5/c1-3-4-10-22-15(19)14(18-16(20)21-2)13-7-11-23-17(12-13)8-5-6-9-17/h13-14H,3-12H2,1-2H3,(H,18,20).
What are the key properties of butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate?
butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate has a molecular weight of 327.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(methoxycarbonylamino)-2-(6-oxaspiro[4.5]decan-9-yl)acetate is sourced from PubChem (CID 71003906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).