3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid

C12H21NO4 — CID 65157514

IUPAC3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)CC1CCCO1
InChIInChI=1S/C12H21NO4/c1-9(2)13(6-5-12(15)16)11(14)8-10-4-3-7-17-10/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyXDZVEBKWNHFXBS-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.27
Rot. Bonds6

About 3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid

3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid (PubChem CID 65157514) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid
PubChem CID65157514
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)CC1CCCO1
InChIInChI=1S/C12H21NO4/c1-9(2)13(6-5-12(15)16)11(14)8-10-4-3-7-17-10/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyXDZVEBKWNHFXBS-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide
CID 62491240
3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207645
4-[3-(oxolan-2-yl)propyl-propan-2-ylamino]butanoic acid
CID 65162413
4-[(2-morpholin-2-ylacetyl)-propan-2-ylamino]butanoic acid
CID 66428508
2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629086
2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 62032283
3-[[2-(azetidin-3-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 64611407
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
CID 65157565
N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide
CID 63952166
N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 104555697
2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid
CID 65156846

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid (CID 65157514) is 3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)CC1CCCO1.
What is the InChIKey of 3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid?
The InChIKey is XDZVEBKWNHFXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(2)13(6-5-12(15)16)11(14)8-10-4-3-7-17-10/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid?
3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 65157514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).