5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide

C12H23N3O3 — CID 119822338

IUPAC5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
SMILESCC(C)C[C@H](N)C(=O)NCC1CCC(C(N)=O)O1
InChIInChI=1S/C12H23N3O3/c1-7(2)5-9(13)12(17)15-6-8-3-4-10(18-8)11(14)16/h7-10H,3-6,13H2,1-2H3,(H2,14,16)(H,15,17)/t8?,9-,10?/m0/s1
InChIKeyLOCYGMNQZOWBRH-KYHHOPLUSA-N
MW257.33 g/mol
LogP-0.49
Rot. Bonds6

About 5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide

5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide (PubChem CID 119822338) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
PubChem CID119822338
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
SMILESCC(C)C[C@H](N)C(=O)NCC1CCC(C(N)=O)O1
InChIInChI=1S/C12H23N3O3/c1-7(2)5-9(13)12(17)15-6-8-3-4-10(18-8)11(14)16/h7-10H,3-6,13H2,1-2H3,(H2,14,16)(H,15,17)/t8?,9-,10?/m0/s1
InChIKeyLOCYGMNQZOWBRH-KYHHOPLUSA-N
XLogP-0.49
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 ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
CID 119345646
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 120669246
5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
CID 71851839
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
5-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide;hydrochloride
CID 120874053
(2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide
CID 66004860
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide
CID 120874052
5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide
CID 167938136
5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide
CID 119822336
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid
CID 106312530
(2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide
CID 97225759

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide (CID 119822338) is 5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide is CC(C)C[C@H](N)C(=O)NCC1CCC(C(N)=O)O1.
What is the InChIKey of 5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is LOCYGMNQZOWBRH-KYHHOPLUSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-7(2)5-9(13)12(17)15-6-8-3-4-10(18-8)11(14)16/h7-10H,3-6,13H2,1-2H3,(H2,14,16)(H,15,17)/t8?,9-,10?/m0/s1.
What are the key properties of 5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide?
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 119822338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).