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

C14H28N2O3 — CID 54925680

IUPAC2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H28N2O3/c1-7-12(6)15(9-14(18)19)8-13(17)16(10(2)3)11(4)5/h10-12H,7-9H2,1-6H3,(H,18,19)
InChIKeyWXUWKBPQCQYJLA-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.82
Rot. Bonds8

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

2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 54925680) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID54925680
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H28N2O3/c1-7-12(6)15(9-14(18)19)8-13(17)16(10(2)3)11(4)5/h10-12H,7-9H2,1-6H3,(H,18,19)
InChIKeyWXUWKBPQCQYJLA-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442430
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid
CID 66045977
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365
3-[di(propan-2-yl)amino]-3-oxopropanoic acid;N,N-di(propan-2-yl)propanamide
CID 158012877
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839636
2-[butan-2-yl(propan-2-yl)amino]acetic acid
CID 60839836
2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
CID 60833263
2-(dimethylamino)-N,N-di(propan-2-yl)acetamide
CID 15050138
2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
CID 60832959
2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
CID 61484904
3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60988088

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid (CID 54925680) is 2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid is CCC(C)N(CC(=O)O)CC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is WXUWKBPQCQYJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-7-12(6)15(9-14(18)19)8-13(17)16(10(2)3)11(4)5/h10-12H,7-9H2,1-6H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid?
2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 54925680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).