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

C13H26N2O3 — CID 54925907

IUPAC2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-7-9(2)15(8-11(16)17)10(3)12(18)14-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,18)(H,16,17)
InChIKeyQDIRKNSGVAMPDU-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.47
Rot. Bonds6

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

2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 54925907) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID54925907
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-7-9(2)15(8-11(16)17)10(3)12(18)14-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,18)(H,16,17)
InChIKeyQDIRKNSGVAMPDU-UHFFFAOYSA-N
XLogP1.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid with MolForge

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Related Compounds

2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 63645143
2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54925908
2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid
CID 60833253
2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid
CID 60829080
2-[butan-2-yl(propan-2-yl)amino]acetic acid
CID 60839836
ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 62012945
2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide
CID 60686797
2-[1-(tert-butylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 105353041
N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 79389363
methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60677092
2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 79269555
2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440476

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 54925907) is 2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid is CCC(C)N(CC(=O)O)C(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is QDIRKNSGVAMPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-7-9(2)15(8-11(16)17)10(3)12(18)14-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,18)(H,16,17).
What are the key properties of 2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 1.47, 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-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 54925907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).