2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid

C11H19NO3 — CID 115910003

IUPAC2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid
SMILESCC1CC(C(=O)NCC(C)(C)C(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-7-4-8(5-7)9(13)12-6-11(2,3)10(14)15/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyAWLALOHHGULKRG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.26
Rot. Bonds4

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

2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid (PubChem CID 115910003) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid
PubChem CID115910003
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid
SMILESCC1CC(C(=O)NCC(C)(C)C(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-7-4-8(5-7)9(13)12-6-11(2,3)10(14)15/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyAWLALOHHGULKRG-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

N-[2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propyl]-3-methylcyclobutane-1-carboxamide
CID 84586419
N-(2-amino-2-methylpropyl)-3-methylcyclobutane-1-carboxamide
CID 130652190
3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid
CID 81369711
2,2-dimethyl-3-[(2-methyloxane-4-carbonyl)amino]propanoic acid
CID 120527941
N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide
CID 110021339
2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81368776
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 106703571
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369311
2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid
CID 115428743
N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 131134003
2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 124570818

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid (CID 115910003) is 2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid is CC1CC(C(=O)NCC(C)(C)C(=O)O)C1.
What is the InChIKey of 2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid?
The InChIKey is AWLALOHHGULKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7-4-8(5-7)9(13)12-6-11(2,3)10(14)15/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 115910003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).