2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid

C10H19NO5 — CID 23422582

IUPAC2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid
SMILESO=C(O)CN(CCCCCCO)CC(=O)O
InChIInChI=1S/C10H19NO5/c12-6-4-2-1-3-5-11(7-9(13)14)8-10(15)16/h12H,1-8H2,(H,13,14)(H,15,16)
InChIKeyZPCXKIAUIHZWNC-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.01
Rot. Bonds10

About 2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid

2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid (PubChem CID 23422582) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid
PubChem CID23422582
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid
SMILESO=C(O)CN(CCCCCCO)CC(=O)O
InChIInChI=1S/C10H19NO5/c12-6-4-2-1-3-5-11(7-9(13)14)8-10(15)16/h12H,1-8H2,(H,13,14)(H,15,16)
InChIKeyZPCXKIAUIHZWNC-UHFFFAOYSA-N
XLogP0.01
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Azapentanedioic acid, 3-(2-hydroxycyclohexyl)-
CID 20270079
2-[1-Hydroxydodecyl(methyl)amino]acetic acid
CID 19831662
N-(4-hydroxybutyl)iminodiacetic acid
CID 23422580
sodium N-(2-hydroxydodecyl)sarcosinate
CID 102330391
N,N-bis(ethoxycarbonyl methyl)-6-aminohexanol
CID 164185943
2-[6-Hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 107704620
6-[Bis(carboxymethyl)amino]hexanoic acid
CID 13257587
N-(2-Hydroxydodecyl)-N-methylglycine
CID 15239606
2-[[6-[Bis(carboxymethyl)amino]-2,5-dihydroxyhexyl]-(carboxymethyl)amino]acetic acid
CID 19423822
6-[Bis(2-hydroxyethyl)amino]hexanoic acid
CID 20265834
2-(1,6-Dihydroxyhexylamino)acetic acid
CID 22715230
2-[Carboxymethyl(5-hydroxypentyl)amino]acetic acid
CID 23422581

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid (CID 23422582) is 2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid is O=C(O)CN(CCCCCCO)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid?
The InChIKey is ZPCXKIAUIHZWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c12-6-4-2-1-3-5-11(7-9(13)14)8-10(15)16/h12H,1-8H2,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid?
2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid has a molecular weight of 233.26 g/mol, XLogP of 0.01, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(6-hydroxyhexyl)amino]acetic acid is sourced from PubChem (CID 23422582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).