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

C11H19NO3 — CID 66477984

IUPAC2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-6(9(14)15)12-8(13)7-10(2,3)11(7,4)5/h6-7H,1-5H3,(H,12,13)(H,14,15)
InChIKeySMTUUQYHMYMMNA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.26
Rot. Bonds3

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

2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 66477984) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID66477984
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-6(9(14)15)12-8(13)7-10(2,3)11(7,4)5/h6-7H,1-5H3,(H,12,13)(H,14,15)
InChIKeySMTUUQYHMYMMNA-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 104964524
3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 66477795
(2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 66477995
2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid
CID 119348545
(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
CID 107175295
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid
CID 107175360
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid
CID 79207585
2-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24705199
2-(thiane-4-carbonylamino)propanoic acid
CID 119348546

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (CID 66477984) is 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is CC(NC(=O)C1C(C)(C)C1(C)C)C(=O)O.
What is the InChIKey of 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is SMTUUQYHMYMMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-6(9(14)15)12-8(13)7-10(2,3)11(7,4)5/h6-7H,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 66477984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).