(2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C18H30N4O4 — CID 167202305

About (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

(2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 167202305) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 167202305
• Molecular Formula: C18H30N4O4
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.23
• IUPAC Name: (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
• SMILES: C=CC(=O)N1CC2(CCN(C(=O)N(C)[C@H](C(N)=O)C(C)C)CC2)O[C@H]1C
• InChI: InChI=1S/C18H30N4O4/c1-6-14(23)22-11-18(26-13(22)4)7-9-21(10-8-18)17(25)20(5)15(12(2)3)16(19)24/h6,12-13,15H,1,7-11H2,2-5H3,(H2,19,24)/t13-,15-/m0/s1
• InChIKey: WUVFMAMMFHVZER-ZFWWWQNUSA-N
• XLogP: 0.77
• TPSA: 96.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.46
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 167202305) is (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is C=CC(=O)N1CC2(CCN(C(=O)N(C)[C@H](C(N)=O)C(C)C)CC2)O[C@H]1C.

What is the InChIKey of (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?

The InChIKey is WUVFMAMMFHVZER-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-6-14(23)22-11-18(26-13(22)4)7-9-21(10-8-18)17(25)20(5)15(12(2)3)16(19)24/h6,12-13,15H,1,7-11H2,2-5H3,(H2,19,24)/t13-,15-/m0/s1.

What are the key properties of (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?

(2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 167202305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).