2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid

C14H22N2O9 — CID 23422392

IUPAC2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC1CCC(CN(CC(=O)O)CC(=O)O)O1
InChIInChI=1S/C14H22N2O9/c17-11(18)5-15(6-12(19)20)3-9-1-2-10(25-9)4-16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyOVNAKYQHWYPTQU-UHFFFAOYSA-N
MW362.34 g/mol
LogP-1.52
Rot. Bonds12

About 2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid

2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid (PubChem CID 23422392) has the molecular formula C14H22N2O9 and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid
PubChem CID23422392
Molecular FormulaC14H22N2O9
Molecular Weight362.34 g/mol
Exact Mass362.13
IUPAC Name2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC1CCC(CN(CC(=O)O)CC(=O)O)O1
InChIInChI=1S/C14H22N2O9/c17-11(18)5-15(6-12(19)20)3-9-1-2-10(25-9)4-16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyOVNAKYQHWYPTQU-UHFFFAOYSA-N
XLogP-1.52
TPSA164.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[Carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid
CID 11042173
2-[(5-Methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 82839748
2-[[6-[Bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid
CID 19423822
2-[4-(Oxolan-2-ylmethyl)piperazin-1-yl]acetic acid
CID 43397377
2-{[(Furan-2-yl)methyl](methyl)amino}acetic acid
CID 43442255
2-(4-((Tetrahydrofuran-2-yl)methyl)piperazin-1-yl)acetic acid hydrochloride
CID 67009184
2-[3,9-Bis(carboxymethyl)-14-oxa-3,6,9-triazabicyclo[9.2.1]tetradecan-6-yl]acetic acid
CID 67794894
2-[[(1R,2R)-2-butoxycyclopentyl]-(carboxymethyl)amino]acetic acid
CID 118026791
2-[[(1S,2S)-2-butoxycyclopentyl]-(carboxymethyl)amino]acetic acid
CID 118026795
2-[(2-Butoxycyclopentyl)-(carboxymethyl)amino]acetic acid
CID 118026804
2-[[(2S)-2-butoxycyclopentyl]-(carboxymethyl)amino]acetic acid
CID 118054381
2-[4,7-Bis(carboxymethyl)-10-(oxolan-2-ylmethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 9910552

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid (CID 23422392) is 2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)CC1CCC(CN(CC(=O)O)CC(=O)O)O1.
What is the InChIKey of 2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid?
The InChIKey is OVNAKYQHWYPTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O9/c17-11(18)5-15(6-12(19)20)3-9-1-2-10(25-9)4-16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid?
2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid has a molecular weight of 362.34 g/mol, XLogP of -1.52, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[bis(carboxymethyl)amino]methyl]oxolan-2-yl]methyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 23422392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).