2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid

C9H18N2O3 — CID 61161496

IUPAC2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CNC
InChIInChI=1S/C9H18N2O3/c1-4-7(2)11(6-9(13)14)8(12)5-10-3/h7,10H,4-6H2,1-3H3,(H,13,14)
InChIKeyWVMIQORHQVRZAI-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.08
Rot. Bonds6

About 2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid

2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid (PubChem CID 61161496) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid
PubChem CID61161496
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CNC
InChIInChI=1S/C9H18N2O3/c1-4-7(2)11(6-9(13)14)8(12)5-10-3/h7,10H,4-6H2,1-3H3,(H,13,14)
InChIKeyWVMIQORHQVRZAI-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid
CID 119955160
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid
CID 115749928
2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid
CID 119954604
2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid
CID 82011908
2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane
CID 158240988
2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid
CID 60829080
2-[butan-2-yl-(2-butylsulfanylacetyl)amino]acetic acid
CID 60827913
2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid
CID 61184394
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
CID 60828230
2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
CID 119954791
2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 119955196

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid (CID 61161496) is 2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CNC.
What is the InChIKey of 2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid?
The InChIKey is WVMIQORHQVRZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-7(2)11(6-9(13)14)8(12)5-10-3/h7,10H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid?
2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid has a molecular weight of 202.25 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 61161496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).