2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid

C15H24N2O8 — CID 118017498

IUPAC2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid
SMILESCC1CCC(N(CC(=O)O)CC(=O)O)C(N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C15H24N2O8/c1-9-2-3-10(16(5-12(18)19)6-13(20)21)11(4-9)17(7-14(22)23)8-15(24)25/h9-11H,2-8H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyHWYSLIKKHHDTSX-UHFFFAOYSA-N
MW360.36 g/mol
LogP-0.51
Rot. Bonds10

About 2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid

2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid (PubChem CID 118017498) has the molecular formula C15H24N2O8 and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid
PubChem CID118017498
Molecular FormulaC15H24N2O8
Molecular Weight360.36 g/mol
Exact Mass360.15
IUPAC Name2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid
SMILESCC1CCC(N(CC(=O)O)CC(=O)O)C(N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C15H24N2O8/c1-9-2-3-10(16(5-12(18)19)6-13(20)21)11(4-9)17(7-14(22)23)8-15(24)25/h9-11H,2-8H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyHWYSLIKKHHDTSX-UHFFFAOYSA-N
XLogP-0.51
TPSA155.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 5-0.51
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]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid (CID 118017498) is 2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid is CC1CCC(N(CC(=O)O)CC(=O)O)C(N(CC(=O)O)CC(=O)O)C1.
What is the InChIKey of 2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid?
The InChIKey is HWYSLIKKHHDTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O8/c1-9-2-3-10(16(5-12(18)19)6-13(20)21)11(4-9)17(7-14(22)23)8-15(24)25/h9-11H,2-8H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid?
2-[[2-[bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 360.36 g/mol, XLogP of -0.51, 10 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]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 118017498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).