Skip to content

2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride

C17H30ClN3O4 — CID 168861115

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CC(CC(C)(N)C(=O)O)C(=O)N2.Cl
InChIInChI=1S/C17H29N3O4.ClH/c1-15(2,3)13(22)20-7-5-17(6-8-20)10-11(12(21)19-17)9-16(4,18)14(23)24;/h11H,5-10,18H2,1-4H3,(H,19,21)(H,23,24);1H
InChIKeyNEWPOISMADGCQF-UHFFFAOYSA-N
MW375.90 g/mol
LogP1.14
Rot. Bonds3

About 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride

2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride (PubChem CID 168861115) has the molecular formula C17H30ClN3O4 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride
PubChem CID168861115
Molecular FormulaC17H30ClN3O4
Molecular Weight375.90 g/mol
Exact Mass375.19
IUPAC Name2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CC(CC(C)(N)C(=O)O)C(=O)N2.Cl
InChIInChI=1S/C17H29N3O4.ClH/c1-15(2,3)13(22)20-7-5-17(6-8-20)10-11(12(21)19-17)9-16(4,18)14(23)24;/h11H,5-10,18H2,1-4H3,(H,19,21)(H,23,24);1H
InChIKeyNEWPOISMADGCQF-UHFFFAOYSA-N
XLogP1.14
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride (CID 168861115) is 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride is CC(C)(C)C(=O)N1CCC2(CC1)CC(CC(C)(N)C(=O)O)C(=O)N2.Cl.
What is the InChIKey of 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride?
The InChIKey is NEWPOISMADGCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4.ClH/c1-15(2,3)13(22)20-7-5-17(6-8-20)10-11(12(21)19-17)9-16(4,18)14(23)24;/h11H,5-10,18H2,1-4H3,(H,19,21)(H,23,24);1H.
What are the key properties of 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride?
2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride is sourced from PubChem (CID 168861115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.