2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid

C18H37NO5 — CID 101465100

IUPAC2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid
SMILESCCCCCCCCCCCCC(O)CN(CC(=O)O)CC(O)O
InChIInChI=1S/C18H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-16(20)13-19(14-17(21)22)15-18(23)24/h16-17,20-22H,2-15H2,1H3,(H,23,24)
InChIKeyDNWPFEQZGDAVHY-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.36
Rot. Bonds17

About 2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid

2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid (PubChem CID 101465100) has the molecular formula C18H37NO5 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid
PubChem CID101465100
Molecular FormulaC18H37NO5
Molecular Weight347.50 g/mol
Exact Mass347.27
IUPAC Name2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid
SMILESCCCCCCCCCCCCC(O)CN(CC(=O)O)CC(O)O
InChIInChI=1S/C18H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-16(20)13-19(14-17(21)22)15-18(23)24/h16-17,20-22H,2-15H2,1H3,(H,23,24)
InChIKeyDNWPFEQZGDAVHY-UHFFFAOYSA-N
XLogP2.36
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[bis(2-hydroxydecyl)amino]propanoic acid
CID 164829125
4-[bis(2-hydroxyhexadecyl)amino]butanoic acid
CID 176659150
3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid
CID 99119531
ethane;1-[[(2R)-2-hydroxydodecyl]-pentylamino]dodecan-2-ol
CID 144985798
1-(dibutylamino)undecan-2-ol
CID 101275149
2-amino-6-[bis[(2R)-2-hydroxydodecyl]amino]hexanoic acid
CID 154597375
(2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]dodecan-2-ol
CID 129387119
3-hydroxytetracosanoic acid
CID 5312781
3-hydroxyoctadecanoic acid
CID 158545826
bis[2-[bis(2-hydroxydodecyl)amino]ethylsulfanyl]methanone
CID 164846891
2-[2-[bis(carboxymethyl)amino]ethyl-(2,2-dihydroxyethyl)amino]acetic acid
CID 6394180
1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol
CID 101275199

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid?
The IUPAC name of 2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid (CID 101465100) is 2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid.
What is the SMILES notation for 2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid?
The canonical SMILES for 2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid is CCCCCCCCCCCCC(O)CN(CC(=O)O)CC(O)O.
What is the InChIKey of 2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid?
The InChIKey is DNWPFEQZGDAVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-16(20)13-19(14-17(21)22)15-18(23)24/h16-17,20-22H,2-15H2,1H3,(H,23,24).
What are the key properties of 2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid?
2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid has a molecular weight of 347.50 g/mol, XLogP of 2.36, 17 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid is sourced from PubChem (CID 101465100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).