sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride

C10H17N2NaO8 — CID 173228651

IUPACsodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride
SMILESO=C(O)CNCC(CC(=O)O)(CC(=O)O)NCC(=O)O.[H-].[Na+]
InChIInChI=1S/C10H16N2O8.Na.H/c13-6(14)1-10(2-7(15)16,12-4-9(19)20)5-11-3-8(17)18;;/h11-12H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+1;-1
InChIKeyPOKUMKIOQROTGR-UHFFFAOYSA-N
MW316.24 g/mol
LogP-4.86
Rot. Bonds11

About sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride

sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride (PubChem CID 173228651) has the molecular formula C10H17N2NaO8 and a molecular weight of 316.24 g/mol. Its IUPAC name is sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride.

Molecular Properties

Compound Namesodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride
PubChem CID173228651
Molecular FormulaC10H17N2NaO8
Molecular Weight316.24 g/mol
Exact Mass316.09
IUPAC Namesodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride
SMILESO=C(O)CNCC(CC(=O)O)(CC(=O)O)NCC(=O)O.[H-].[Na+]
InChIInChI=1S/C10H16N2O8.Na.H/c13-6(14)1-10(2-7(15)16,12-4-9(19)20)5-11-3-8(17)18;;/h11-12H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+1;-1
InChIKeyPOKUMKIOQROTGR-UHFFFAOYSA-N
XLogP-4.86
TPSA173.26 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.24
LogP ≤ 5-4.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid
CID 22146509
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
CID 174463163
2-(carboxymethylamino)acetic acid
CID 8897
2-[[2-(carboxymethylamino)-3-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]propyl]amino]acetic acid;hydrate
CID 66787689
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;hydrochloride
CID 22311667
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;λ2-stannane
CID 173200141
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide
CID 175526347
2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetic acid
CID 66178823
2-(2,2,4,4-tetramethylpentylamino)acetic acid
CID 155323369
2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
CID 114494765

Frequently Asked Questions

What is the IUPAC name of sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride?
The IUPAC name of sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride (CID 173228651) is sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride.
What is the SMILES notation for sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride?
The canonical SMILES for sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride is O=C(O)CNCC(CC(=O)O)(CC(=O)O)NCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride?
The InChIKey is POKUMKIOQROTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.Na.H/c13-6(14)1-10(2-7(15)16,12-4-9(19)20)5-11-3-8(17)18;;/h11-12H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+1;-1.
What are the key properties of sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride?
sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride has a molecular weight of 316.24 g/mol, XLogP of -4.86, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride is sourced from PubChem (CID 173228651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).