2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid

C13H26N2O3 — CID 54925908

IUPAC2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(C)C(=O)NCC(C)C
InChIInChI=1S/C13H26N2O3/c1-6-10(4)15(8-12(16)17)11(5)13(18)14-7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyDXXAZLRQJAOAKH-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.33
Rot. Bonds8

About 2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 54925908) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID54925908
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(C)C(=O)NCC(C)C
InChIInChI=1S/C13H26N2O3/c1-6-10(4)15(8-12(16)17)11(5)13(18)14-7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyDXXAZLRQJAOAKH-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54925907
2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid
CID 60833253
2-[butan-2-yl(propan-2-yl)amino]acetic acid
CID 60839836
2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425496
2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43656825
2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 63118704
3-methyl-4-(2-methylpropylamino)-4-oxobutanoic acid
CID 58719925
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 60686188
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
2-[2-hydroxyethyl(methyl)amino]-N-(2-methylpropyl)propanamide
CID 60683962
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2-methylpropyl)propanamide
CID 79389367
2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63645647

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 54925908) is 2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid is CCC(C)N(CC(=O)O)C(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is DXXAZLRQJAOAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-10(4)15(8-12(16)17)11(5)13(18)14-7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 54925908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).