2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid

C12H22N2O4 — CID 119955160

IUPAC2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid
SMILESCCCC(=O)NCC(=O)N(CC(=O)O)C(C)CC
InChIInChI=1S/C12H22N2O4/c1-4-6-10(15)13-7-11(16)14(8-12(17)18)9(3)5-2/h9H,4-8H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyDLGRYFCMEDRQDQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.61
Rot. Bonds8

About 2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid

2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid (PubChem CID 119955160) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid
PubChem CID119955160
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid
SMILESCCCC(=O)NCC(=O)N(CC(=O)O)C(C)CC
InChIInChI=1S/C12H22N2O4/c1-4-6-10(15)13-7-11(16)14(8-12(17)18)9(3)5-2/h9H,4-8H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyDLGRYFCMEDRQDQ-UHFFFAOYSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid
CID 61161496
2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 119955196
3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid
CID 115596400
2-[[2-[(2-acetamidoacetyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 119198762
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid
CID 82011908
2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid
CID 61201518
2-[butan-2-yl-(2-butylsulfanylacetyl)amino]acetic acid
CID 60827913
2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
CID 119954791
(E,4S)-4-[[2-(butanoylamino)acetyl]-methylamino]-2-methylpent-2-enoic acid
CID 159251046
2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid
CID 115749928
2-[butan-2-yl(3-cyclopentylpropanoyl)amino]acetic acid
CID 60828220

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid (CID 119955160) is 2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid is CCCC(=O)NCC(=O)N(CC(=O)O)C(C)CC.
What is the InChIKey of 2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid?
The InChIKey is DLGRYFCMEDRQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-6-10(15)13-7-11(16)14(8-12(17)18)9(3)5-2/h9H,4-8H2,1-3H3,(H,13,15)(H,17,18).
What are the key properties of 2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid?
2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid is sourced from PubChem (CID 119955160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).