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

C10H20N2O3 — CID 60986775

IUPAC3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(C)N(C)C(=O)CN(C)CCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-8(2)12(4)9(13)7-11(3)6-5-10(14)15/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyCJFOFIHSNSFUGO-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.26
Rot. Bonds6

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

3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 60986775) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID60986775
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(C)N(C)C(=O)CN(C)CCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-8(2)12(4)9(13)7-11(3)6-5-10(14)15/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyCJFOFIHSNSFUGO-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60988088
4-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]butanoic acid
CID 55005699
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911794
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 62332975
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
CID 86911516
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269029
3-[2,2-dihydroxyethyl(methyl)amino]propanoic acid;hydrochloride
CID 175013118
2-[cyclopentylmethyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86869723
3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid
CID 82223979
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442430

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid (CID 60986775) is 3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid is CC(C)N(C)C(=O)CN(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is CJFOFIHSNSFUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(2)12(4)9(13)7-11(3)6-5-10(14)15/h8H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 60986775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).