2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid

C12H22N2O3 — CID 79812599

IUPAC2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid
SMILESCCC(N)(CC)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-4-12(13,5-2)9(15)14-11(3,10(16)17)8-6-7-8/h8H,4-7,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyPTHOZEALVVYPOG-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.87
Rot. Bonds6

About 2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid

2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 79812599) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid
PubChem CID79812599
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid
SMILESCCC(N)(CC)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-4-12(13,5-2)9(15)14-11(3,10(16)17)8-6-7-8/h8H,4-7,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyPTHOZEALVVYPOG-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylpropanoic acid
CID 62487893
2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
CID 61159841
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734
2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205737
2-amino-2-cyclopropyl-N-(2-methylbutan-2-yl)propanamide
CID 60866770
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
2-cyclopropyl-2-[[ethyl(propyl)carbamoyl]amino]propanoic acid
CID 61195647
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145
2-cyclopropyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79389266
2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid
CID 61162344
2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
CID 61162345

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid (CID 79812599) is 2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid is CCC(N)(CC)C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is PTHOZEALVVYPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-12(13,5-2)9(15)14-11(3,10(16)17)8-6-7-8/h8H,4-7,13H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid?
2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 79812599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).