2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid

C10H20N2O3 — CID 103802734

IUPAC2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
SMILESCC(C)C(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-8(2)10(15)12(7-9(13)14)6-5-11(3)4/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyXTBRIWOPTUIOOC-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.12
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid (PubChem CID 103802734) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
PubChem CID103802734
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
SMILESCC(C)C(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-8(2)10(15)12(7-9(13)14)6-5-11(3)4/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyXTBRIWOPTUIOOC-UHFFFAOYSA-N
XLogP0.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid
CID 103802618
2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425598
2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276660
2-[(2-cyclopropylcyclopropanecarbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346792
azane;2-(dimethylamino)acetic acid
CID 172828475
2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid
CID 103802876
3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid
CID 64896709
2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107424410
2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid
CID 126431608
2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid
CID 107426132

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid (CID 103802734) is 2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid is CC(C)C(=O)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid?
The InChIKey is XTBRIWOPTUIOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(2)10(15)12(7-9(13)14)6-5-11(3)4/h8H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid is sourced from PubChem (CID 103802734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).