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

C11H22N2O3 — CID 43442430

IUPAC2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCC(C)N(C(=O)CN(C)CC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)13(9(3)4)10(14)6-12(5)7-11(15)16/h8-9H,6-7H2,1-5H3,(H,15,16)
InChIKeyNWWNAMXGDIBXCT-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.65
Rot. Bonds6

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

2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442430) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442430
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCC(C)N(C(=O)CN(C)CC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)13(9(3)4)10(14)6-12(5)7-11(15)16/h8-9H,6-7H2,1-5H3,(H,15,16)
InChIKeyNWWNAMXGDIBXCT-UHFFFAOYSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.65
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
2-(dimethylamino)-N,N-di(propan-2-yl)acetamide
CID 15050138
2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 54925680
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258275
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 61489399
3-[di(propan-2-yl)amino]-3-oxopropanoic acid;N,N-di(propan-2-yl)propanamide
CID 158012877
2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)
CID 88765663
3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986775
2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43442431
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N,N-di(propan-2-yl)acetamide
CID 115638156
2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442339

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid (CID 43442430) is 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid is CC(C)N(C(=O)CN(C)CC(=O)O)C(C)C.
What is the InChIKey of 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is NWWNAMXGDIBXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)13(9(3)4)10(14)6-12(5)7-11(15)16/h8-9H,6-7H2,1-5H3,(H,15,16).
What are the key properties of 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid?
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 43442430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).