(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid

C10H17NO4 — CID 104979103

IUPAC(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
SMILESCC[C@H](NC(=O)C1COC(C)C1)C(=O)O
InChIInChI=1S/C10H17NO4/c1-3-8(10(13)14)11-9(12)7-4-6(2)15-5-7/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6?,7?,8-/m0/s1
InChIKeyPOZVCZUTVYPQIC-RRQHEKLDSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds4

About (2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid

(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid (PubChem CID 104979103) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
PubChem CID104979103
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
SMILESCC[C@H](NC(=O)C1COC(C)C1)C(=O)O
InChIInChI=1S/C10H17NO4/c1-3-8(10(13)14)11-9(12)7-4-6(2)15-5-7/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6?,7?,8-/m0/s1
InChIKeyPOZVCZUTVYPQIC-RRQHEKLDSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid (CID 104979103) is (2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid is CC[C@H](NC(=O)C1COC(C)C1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid?
The InChIKey is POZVCZUTVYPQIC-RRQHEKLDSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-8(10(13)14)11-9(12)7-4-6(2)15-5-7/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6?,7?,8-/m0/s1.
What are the key properties of (2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid?
(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 104979103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).