3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid

C14H25NO3 — CID 66476263

IUPAC3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C14H25NO3/c1-9(2)15(8-7-10(16)17)12(18)11-13(3,4)14(11,5)6/h9,11H,7-8H2,1-6H3,(H,16,17)
InChIKeyMUBMBDLEQSIAPR-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.38
Rot. Bonds5

About 3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid

3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 66476263) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID66476263
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C14H25NO3/c1-9(2)15(8-7-10(16)17)12(18)11-13(3,4)14(11,5)6/h9,11H,7-8H2,1-6H3,(H,16,17)
InChIKeyMUBMBDLEQSIAPR-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 66477411
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 54994879
3-[(1,1-dioxothiane-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 113421832
3-[propan-2-yl(thiane-2-carbonyl)amino]propanoic acid
CID 80594671
3-[dimethylaminocarbamoyl(propan-2-yl)amino]propanoic acid
CID 83020290
3-[cyclopropylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61187933
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 79181857
3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid
CID 61276954
3-[(2-oxo-1,3-thiazolidine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 60831231
3-[3-ethylpentanoyl(propan-2-yl)amino]propanoic acid
CID 120520184
3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60988088
3-[(2-methylthiolane-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 81450429

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (CID 66476263) is 3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of 3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is MUBMBDLEQSIAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(2)15(8-7-10(16)17)12(18)11-13(3,4)14(11,5)6/h9,11H,7-8H2,1-6H3,(H,16,17).
What are the key properties of 3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 66476263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).