2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid

C14H22N2O8 — CID 2723845

IUPAC2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)[C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-/m1/s1
InChIKeyFCKYPQBAHLOOJQ-NXEZZACHSA-N
MW346.34 g/mol
LogP-0.76
Rot. Bonds10

About 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid

2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid (PubChem CID 2723845) has the molecular formula C14H22N2O8 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
PubChem CID2723845
Molecular FormulaC14H22N2O8
Molecular Weight346.34 g/mol
Exact Mass346.14
IUPAC Name2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)[C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-/m1/s1
InChIKeyFCKYPQBAHLOOJQ-NXEZZACHSA-N
XLogP-0.76
TPSA155.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid with MolForge

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Related Compounds

1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid
CID 10213
Glycine, N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)-, sodium salt (1:2)
CID 24230
Hexamethylenediaminetetraacetic acid
CID 74209
Cyclohexane-1,2-diamine-N,N,N',N'-tetraacetic acid monohydrate, trans-
CID 2723844
Glycine, N,N'-cyclohexanediylbis(N-(carboxymethyl)-, calcium sodium salt (1:1:2)
CID 168995
glycine, n,n'-1,2-cyclohexanediylbis(n-(carboxymethyl)-, trisodium salt
CID 56842610
Disodium 2,2'-({2-[bis(carboxymethyl)amino]cyclohexyl}azanediyl)diacetate
CID 138400121
2-[2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 44345186
2-[Carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)cyclohexyl]amino]acetic acid
CID 384587
trans-((N,N'-Cyclohexane-1,2-diylbis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',ON,ON')cuprate(2-)
CID 88011
Glycine, N,N'-1,2-cyclohexanediylbis(N-(carboxymethyl)-, magnesium sodium salt (1:1:2)
CID 113230
2,2',2'',2'''-(Cyclohexane-1,2-diyldinitrilo)tetraacetic acid--water (1/1)
CID 18674933

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid (CID 2723845) is 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)[C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid?
The InChIKey is FCKYPQBAHLOOJQ-NXEZZACHSA-N. The full InChI is InChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid?
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 346.34 g/mol, XLogP of -0.76, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 2723845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).