4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid

C10H17NO4 — CID 104855520

IUPAC4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)[C@H]1CCCO1
InChIInChI=1S/C10H17NO4/c1-11(6-2-5-9(12)13)10(14)8-4-3-7-15-8/h8H,2-7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyBYVJMGCEVGTHOM-MRVPVSSYSA-N
MW215.25 g/mol
LogP0.49
Rot. Bonds5

About 4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid

4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid (PubChem CID 104855520) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
PubChem CID104855520
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)[C@H]1CCCO1
InChIInChI=1S/C10H17NO4/c1-11(6-2-5-9(12)13)10(14)8-4-3-7-15-8/h8H,2-7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyBYVJMGCEVGTHOM-MRVPVSSYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 93398627
methyl 4-[methyl(oxane-2-carbonyl)amino]butanoate
CID 55048143
methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate
CID 103852349
N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide
CID 62212648
4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid
CID 104855556
4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid
CID 79750382
(2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 104856250
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 63265290
N-(2-hydroxypropyl)-N-methyloxolane-2-carboxamide
CID 62335321
4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid
CID 81456744
3-[2-methylpropyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 95538874
3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
CID 62213143

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid (CID 104855520) is 4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)[C@H]1CCCO1.
What is the InChIKey of 4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid?
The InChIKey is BYVJMGCEVGTHOM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-11(6-2-5-9(12)13)10(14)8-4-3-7-15-8/h8H,2-7H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of 4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid?
4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 104855520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).