5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide

C12H23N3O3 — CID 119822336

IUPAC5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide
SMILESCCCC(C)(N)C(=O)NCC1CCC(C(N)=O)O1
InChIInChI=1S/C12H23N3O3/c1-3-6-12(2,14)11(17)15-7-8-4-5-9(18-8)10(13)16/h8-9H,3-7,14H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeySIKYKMHCTAXSTD-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.35
Rot. Bonds6

About 5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide

5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide (PubChem CID 119822336) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide
PubChem CID119822336
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide
SMILESCCCC(C)(N)C(=O)NCC1CCC(C(N)=O)O1
InChIInChI=1S/C12H23N3O3/c1-3-6-12(2,14)11(17)15-7-8-4-5-9(18-8)10(13)16/h8-9H,3-7,14H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeySIKYKMHCTAXSTD-UHFFFAOYSA-N
XLogP-0.35
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-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

2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride
CID 119741898
(2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide
CID 99826918
(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
CID 97241017
2-amino-N-[(3-hydroxycyclobutyl)methyl]-2-methylpentanamide
CID 66004244
5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide
CID 167938136
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 60856275
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
CID 119822338
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide
CID 119821628
(2R,5S)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835306
(2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835307
5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid
CID 83199780
2-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-2-methylpentanamide;hydrochloride
CID 119783207

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide (CID 119822336) is 5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide is CCCC(C)(N)C(=O)NCC1CCC(C(N)=O)O1.
What is the InChIKey of 5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide?
The InChIKey is SIKYKMHCTAXSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-6-12(2,14)11(17)15-7-8-4-5-9(18-8)10(13)16/h8-9H,3-7,14H2,1-2H3,(H2,13,16)(H,15,17).
What are the key properties of 5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide?
5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 119822336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).