2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid

C11H20N2O4 — CID 66237264

IUPAC2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C1COCC1N)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-6(2)3-9(11(15)16)13-10(14)7-4-17-5-8(7)12/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyDFSAMSJLMBDISD-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.42
Rot. Bonds5

About 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid

2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 66237264) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID66237264
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C1COCC1N)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-6(2)3-9(11(15)16)13-10(14)7-4-17-5-8(7)12/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyDFSAMSJLMBDISD-UHFFFAOYSA-N
XLogP-0.42
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 66235445
(2S)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid
CID 5275678
4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66240011
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091
4-amino-N-(4-methoxybutan-2-yl)oxolane-3-carboxamide
CID 66237512
(2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid
CID 40965426
(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 10538955
(2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894520
(2S)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 66236866
4-amino-N-[1-(diethylamino)propan-2-yl]oxolane-3-carboxamide
CID 66237288
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide
CID 66238292
4-amino-N-(1-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66235478

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid (CID 66237264) is 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)C1COCC1N)C(=O)O.
What is the InChIKey of 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is DFSAMSJLMBDISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-6(2)3-9(11(15)16)13-10(14)7-4-17-5-8(7)12/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid?
2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 66237264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).