2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid

C13H24N2O3 — CID 115428933

IUPAC2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid
SMILESCC(C)(CNC(=O)NC1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-11(2,9(16)17)7-14-10(18)15-8-12(3,4)13(8,5)6/h8H,7H2,1-6H3,(H,16,17)(H2,14,15,18)
InChIKeyWFENTRSYWAUHDS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.83
Rot. Bonds4

About 2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid

2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid (PubChem CID 115428933) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid
PubChem CID115428933
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid
SMILESCC(C)(CNC(=O)NC1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-11(2,9(16)17)7-14-10(18)15-8-12(3,4)13(8,5)6/h8H,7H2,1-6H3,(H,16,17)(H2,14,15,18)
InChIKeyWFENTRSYWAUHDS-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid
CID 115428743
2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid
CID 79800935
2,2-dimethyl-3-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 115428682
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 106703571
2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid
CID 82821692
2,2-dimethyl-3-(2,2,3-trimethylbutylcarbamoylamino)propanoic acid
CID 114101334
2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618034
3-[(2-ethylsulfanylcyclopentyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 114121881
3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428255
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428434
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 113308075

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid (CID 115428933) is 2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid is CC(C)(CNC(=O)NC1C(C)(C)C1(C)C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid?
The InChIKey is WFENTRSYWAUHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(2,9(16)17)7-14-10(18)15-8-12(3,4)13(8,5)6/h8H,7H2,1-6H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid?
2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 115428933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).