3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid

C12H24N2O3 — CID 60988088

IUPAC3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
SMILESCC(C)N(C(=O)CN(C)CCC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-9(2)14(10(3)4)11(15)8-13(5)7-6-12(16)17/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKeyATZACUMZGHWWTQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.04
Rot. Bonds7

About 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid

3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid (PubChem CID 60988088) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
PubChem CID60988088
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
SMILESCC(C)N(C(=O)CN(C)CCC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-9(2)14(10(3)4)11(15)8-13(5)7-6-12(16)17/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKeyATZACUMZGHWWTQ-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]butanoic acid
CID 55005699
3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986775
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442430
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911794
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
2-(dimethylamino)-N,N-di(propan-2-yl)acetamide
CID 15050138
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
3-[2,2-dihydroxyethyl(methyl)amino]propanoic acid;hydrochloride
CID 175013118
3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid
CID 82223979
3-[di(propan-2-yl)amino]-3-oxopropanoic acid;N,N-di(propan-2-yl)propanamide
CID 158012877
2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 54925680
3-[dimethylaminocarbamoyl(propan-2-yl)amino]propanoic acid
CID 83020290

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid (CID 60988088) is 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid is CC(C)N(C(=O)CN(C)CCC(=O)O)C(C)C.
What is the InChIKey of 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid?
The InChIKey is ATZACUMZGHWWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)14(10(3)4)11(15)8-13(5)7-6-12(16)17/h9-10H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid?
3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid is sourced from PubChem (CID 60988088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).