2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid

C14H25N3O7 — CID 59695523

IUPAC2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)(C)NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C14H25N3O7/c1-14(2,3)15-10(18)6-16(7-11(19)20)4-5-17(8-12(21)22)9-13(23)24/h4-9H2,1-3H3,(H,15,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyGLUBGUYCVLPTEK-UHFFFAOYSA-N
MW347.37 g/mol
LogP-1.24
Rot. Bonds11

About 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid

2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 59695523) has the molecular formula C14H25N3O7 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid
PubChem CID59695523
Molecular FormulaC14H25N3O7
Molecular Weight347.37 g/mol
Exact Mass347.17
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)(C)NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C14H25N3O7/c1-14(2,3)15-10(18)6-16(7-11(19)20)4-5-17(8-12(21)22)9-13(23)24/h4-9H2,1-3H3,(H,15,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyGLUBGUYCVLPTEK-UHFFFAOYSA-N
XLogP-1.24
TPSA147.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid (CID 59695523) is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid is CC(C)(C)NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is GLUBGUYCVLPTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O7/c1-14(2,3)15-10(18)6-16(7-11(19)20)4-5-17(8-12(21)22)9-13(23)24/h4-9H2,1-3H3,(H,15,18)(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid?
2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 347.37 g/mol, XLogP of -1.24, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(tert-butylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 59695523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).