2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid

C11H19NO4 — CID 65156846

IUPAC2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)CC1CCCO1
InChIInChI=1S/C11H19NO4/c1-3-9(11(14)15)12(2)10(13)7-8-5-4-6-16-8/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyFLXWFBGKHCELRC-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds5

About 2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid

2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid (PubChem CID 65156846) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid
PubChem CID65156846
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)CC1CCCO1
InChIInChI=1S/C11H19NO4/c1-3-9(11(14)15)12(2)10(13)7-8-5-4-6-16-8/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyFLXWFBGKHCELRC-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 104555697
2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid
CID 65162256
N-(1-aminopropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260859
2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 62032283
4-methyl-1-(oxolan-2-yl)hexan-2-one
CID 62621142
3-methyl-3-[methyl-[2-(oxan-2-yl)acetyl]amino]butanoic acid
CID 110837566
3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 65157514
2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 83041808
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 61432396
2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid
CID 65157376

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid (CID 65156846) is 2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid is CCC(C(=O)O)N(C)C(=O)CC1CCCO1.
What is the InChIKey of 2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid?
The InChIKey is FLXWFBGKHCELRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-9(11(14)15)12(2)10(13)7-8-5-4-6-16-8/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid?
2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 65156846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).