N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide

C9H17NO3 — CID 104979236

IUPACN-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC[C@H](C)O)CO1
InChIInChI=1S/C9H17NO3/c1-6(11)4-10-9(12)8-3-7(2)13-5-8/h6-8,11H,3-5H2,1-2H3,(H,10,12)/t6-,7?,8?/m0/s1
InChIKeyFMAVMJJJDSRRNL-KKMMWDRVSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds3

About N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide

N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide (PubChem CID 104979236) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
PubChem CID104979236
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC[C@H](C)O)CO1
InChIInChI=1S/C9H17NO3/c1-6(11)4-10-9(12)8-3-7(2)13-5-8/h6-8,11H,3-5H2,1-2H3,(H,10,12)/t6-,7?,8?/m0/s1
InChIKeyFMAVMJJJDSRRNL-KKMMWDRVSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide 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

N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
CID 114826417
N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide
CID 102677242
N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
CID 114823515
3-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824539
N-(2-aminobutyl)-5-methyloxolane-3-carboxamide
CID 114823568
N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
CID 114825656
2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824533
3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 103153048
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(4-chloropentyl)-5-methyloxolane-3-carboxamide
CID 106129813
N-but-2-ynyl-5-methyloxolane-3-carboxamide
CID 126992947
2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 114824595

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide (CID 104979236) is N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NC[C@H](C)O)CO1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide?
The InChIKey is FMAVMJJJDSRRNL-KKMMWDRVSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(11)4-10-9(12)8-3-7(2)13-5-8/h6-8,11H,3-5H2,1-2H3,(H,10,12)/t6-,7?,8?/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide?
N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 104979236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).