2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid

C11H19NO4 — CID 119358520

IUPAC2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CCC1CCOC1
InChIInChI=1S/C11H19NO4/c1-8(11(14)15)12(2)10(13)4-3-9-5-6-16-7-9/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyWMNFYXVVIJWEHY-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds5

About 2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid

2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid (PubChem CID 119358520) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid
PubChem CID119358520
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CCC1CCOC1
InChIInChI=1S/C11H19NO4/c1-8(11(14)15)12(2)10(13)4-3-9-5-6-16-7-9/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyWMNFYXVVIJWEHY-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(oxolan-3-yl)-N-pyrrolidin-3-ylpropanamide
CID 119552896
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
3-methyl-2-[methyl-[2-(oxan-3-yl)acetyl]amino]butanoic acid
CID 110837478
2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
CID 62625647
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
3-methyl-2-[methyl-[2-(oxan-4-yl)acetyl]amino]butanoic acid
CID 110837449
2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361910
N,N-dimethyl-3-(oxolan-3-ylmethylamino)butanamide
CID 115712358
(2S)-2-[3-(dimethylamino)propanoyl-methylamino]propanoic acid
CID 118568669
5-(oxolan-3-yl)pentanoic acid
CID 142409072
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86989385

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid (CID 119358520) is 2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)CCC1CCOC1.
What is the InChIKey of 2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid?
The InChIKey is WMNFYXVVIJWEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(11(14)15)12(2)10(13)4-3-9-5-6-16-7-9/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid?
2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119358520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).