2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid

C14H24N2O10 — CID 19423822

IUPAC2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(O)CCC(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H24N2O10/c17-9(3-15(5-11(19)20)6-12(21)22)1-2-10(18)4-16(7-13(23)24)8-14(25)26/h9-10,17-18H,1-8H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyMRDVUIDHRGUCCA-UHFFFAOYSA-N
MW380.35 g/mol
LogP-2.57
Rot. Bonds15

About 2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid

2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid (PubChem CID 19423822) has the molecular formula C14H24N2O10 and a molecular weight of 380.35 g/mol. Its IUPAC name is 2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid
PubChem CID19423822
Molecular FormulaC14H24N2O10
Molecular Weight380.35 g/mol
Exact Mass380.14
IUPAC Name2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(O)CCC(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H24N2O10/c17-9(3-15(5-11(19)20)6-12(21)22)1-2-10(18)4-16(7-13(23)24)8-14(25)26/h9-10,17-18H,1-8H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyMRDVUIDHRGUCCA-UHFFFAOYSA-N
XLogP-2.57
TPSA196.14 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.35
LogP ≤ 5-2.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid (CID 19423822) is 2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)CC(O)CCC(O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid?
The InChIKey is MRDVUIDHRGUCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O10/c17-9(3-15(5-11(19)20)6-12(21)22)1-2-10(18)4-16(7-13(23)24)8-14(25)26/h9-10,17-18H,1-8H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid?
2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 380.35 g/mol, XLogP of -2.57, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 19423822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).