2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid

C9H20N2O2 — CID 61480028

IUPAC2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
SMILESCC(C)C(CN(C)C)NCC(=O)O
InChIInChI=1S/C9H20N2O2/c1-7(2)8(6-11(3)4)10-5-9(12)13/h7-8,10H,5-6H2,1-4H3,(H,12,13)
InChIKeyILJFLRARYCRNJU-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.25
Rot. Bonds6

About 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid (PubChem CID 61480028) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
PubChem CID61480028
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
SMILESCC(C)C(CN(C)C)NCC(=O)O
InChIInChI=1S/C9H20N2O2/c1-7(2)8(6-11(3)4)10-5-9(12)13/h7-8,10H,5-6H2,1-4H3,(H,12,13)
InChIKeyILJFLRARYCRNJU-UHFFFAOYSA-N
XLogP0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-methylacetamide
CID 61480071
2-[1-(dimethylamino)propan-2-ylamino]acetic acid
CID 82937754
tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate
CID 54958485
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 54956919
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 61479125
2-amino-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propanamide
CID 103245104
5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 55156179
1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine
CID 113288131
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 81411042
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid
CID 54958910
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile
CID 61480297
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid (CID 61480028) is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid is CC(C)C(CN(C)C)NCC(=O)O.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid?
The InChIKey is ILJFLRARYCRNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)8(6-11(3)4)10-5-9(12)13/h7-8,10H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid?
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid has a molecular weight of 188.27 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid is sourced from PubChem (CID 61480028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).