N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide

C10H20N2O2 — CID 114823515

IUPACN-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
SMILESCC(CN)CNC(=O)C1COC(C)C1
InChIInChI=1S/C10H20N2O2/c1-7(4-11)5-12-10(13)9-3-8(2)14-6-9/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyTXNRPTGGFHZOKP-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.12
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide

N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide (PubChem CID 114823515) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
PubChem CID114823515
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
SMILESCC(CN)CNC(=O)C1COC(C)C1
InChIInChI=1S/C10H20N2O2/c1-7(4-11)5-12-10(13)9-3-8(2)14-6-9/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyTXNRPTGGFHZOKP-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824539
N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
CID 104979236
N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
CID 114826417
N-(2-aminobutyl)-5-methyloxolane-3-carboxamide
CID 114823568
N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
CID 114825656
N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide
CID 102677242
N-(4-chloropentyl)-5-methyloxolane-3-carboxamide
CID 106129813
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824533
3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 103153048
5-methyl-N-(2-methylpropoxy)oxolane-3-carboxamide
CID 114826134
N-(3-amino-2-methylpropyl)-5-methyloxolane-2-carboxamide
CID 81324675

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide (CID 114823515) is N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide is CC(CN)CNC(=O)C1COC(C)C1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide?
The InChIKey is TXNRPTGGFHZOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(4-11)5-12-10(13)9-3-8(2)14-6-9/h7-9H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide?
N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114823515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).