2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid

C14H26N2O5 — CID 63645438

IUPAC2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
SMILESCC(C)CN(CC(C)C)C(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H26N2O5/c1-10(2)5-16(6-11(3)4)12(17)7-15(8-13(18)19)9-14(20)21/h10-11H,5-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyXABULJIYSIEONO-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.60
Rot. Bonds10

About 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid

2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid (PubChem CID 63645438) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
PubChem CID63645438
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
SMILESCC(C)CN(CC(C)C)C(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H26N2O5/c1-10(2)5-16(6-11(3)4)12(17)7-15(8-13(18)19)9-14(20)21/h10-11H,5-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyXABULJIYSIEONO-UHFFFAOYSA-N
XLogP0.60
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79275630
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 60833387
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911794
2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
CID 138501380
2-[bis[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]acetic acid
CID 138501386
2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid
CID 118650049
2-[2-methylpropyl-(2-methylsulfanylacetyl)amino]acetic acid
CID 62032636
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid
CID 82323302
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid (CID 63645438) is 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid is CC(C)CN(CC(C)C)C(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid?
The InChIKey is XABULJIYSIEONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-10(2)5-16(6-11(3)4)12(17)7-15(8-13(18)19)9-14(20)21/h10-11H,5-9H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid?
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 302.37 g/mol, XLogP of 0.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 63645438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).