N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide

C12H20N2O3 — CID 71970268

IUPACN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)C1=CCCCO1)C(N)=O
InChIInChI=1S/C12H20N2O3/c1-12(2,3)9(10(13)15)14-11(16)8-6-4-5-7-17-8/h6,9H,4-5,7H2,1-3H3,(H2,13,15)(H,14,16)/t9-/m1/s1
InChIKeyMWTCPPBZPWEYDS-SECBINFHSA-N
MW240.30 g/mol
LogP0.70
Rot. Bonds3

About N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 71970268) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID71970268
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)C1=CCCCO1)C(N)=O
InChIInChI=1S/C12H20N2O3/c1-12(2,3)9(10(13)15)14-11(16)8-6-4-5-7-17-8/h6,9H,4-5,7H2,1-3H3,(H2,13,15)(H,14,16)/t9-/m1/s1
InChIKeyMWTCPPBZPWEYDS-SECBINFHSA-N
XLogP0.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide 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 N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 71970268) is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide is CC(C)(C)[C@H](NC(=O)C1=CCCCO1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is MWTCPPBZPWEYDS-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2,3)9(10(13)15)14-11(16)8-6-4-5-7-17-8/h6,9H,4-5,7H2,1-3H3,(H2,13,15)(H,14,16)/t9-/m1/s1.
What are the key properties of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 71970268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).