3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid

C10H21N3O3 — CID 115428255

IUPAC3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
SMILESCN(C)CCNC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-10(2,8(14)15)7-12-9(16)11-5-6-13(3)4/h5-7H2,1-4H3,(H,14,15)(H2,11,12,16)
InChIKeyQUHNWKCLESOJDL-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.04
Rot. Bonds6

About 3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid

3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid (PubChem CID 115428255) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
PubChem CID115428255
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
SMILESCN(C)CCNC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-10(2,8(14)15)7-12-9(16)11-5-6-13(3)4/h5-7H2,1-4H3,(H,14,15)(H2,11,12,16)
InChIKeyQUHNWKCLESOJDL-UHFFFAOYSA-N
XLogP-0.04
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
CID 16784119
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 113308075
2,2-dimethyl-3-(pentylcarbamoylamino)propanoic acid
CID 115428270
3-(hexylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428854
2,2-dimethyl-3-(2,2,3-trimethylbutylcarbamoylamino)propanoic acid
CID 114101334
3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid
CID 64699841
2-[[3-(dimethylamino)propylcarbamoylamino]methyl]-2-ethylbutanoic acid
CID 113308722
2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618034
4-[3-(dimethylamino)propylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300125
2,2-dimethyl-3-(2-prop-2-enylsulfanylethylcarbamoylamino)propanoic acid
CID 106430622
2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid
CID 115428852
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428434

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid (CID 115428255) is 3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid is CN(C)CCNC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid?
The InChIKey is QUHNWKCLESOJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(2,8(14)15)7-12-9(16)11-5-6-13(3)4/h5-7H2,1-4H3,(H,14,15)(H2,11,12,16).
What are the key properties of 3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid?
3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid has a molecular weight of 231.30 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115428255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).