3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid

C19H39NO4 — CID 99119531

IUPAC3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid
SMILESCCCCCCCCCCCC[C@@H](O)CN(CCO)CCC(=O)O
InChIInChI=1S/C19H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-18(22)17-20(15-16-21)14-13-19(23)24/h18,21-22H,2-17H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyUNQIFGWGEAIJPF-GOSISDBHSA-N
MW345.52 g/mol
LogP3.43
Rot. Bonds18

About 3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid

3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid (PubChem CID 99119531) has the molecular formula C19H39NO4 and a molecular weight of 345.52 g/mol. Its IUPAC name is 3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid
PubChem CID99119531
Molecular FormulaC19H39NO4
Molecular Weight345.52 g/mol
Exact Mass345.29
IUPAC Name3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid
SMILESCCCCCCCCCCCC[C@@H](O)CN(CCO)CCC(=O)O
InChIInChI=1S/C19H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-18(22)17-20(15-16-21)14-13-19(23)24/h18,21-22H,2-17H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyUNQIFGWGEAIJPF-GOSISDBHSA-N
XLogP3.43
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 53.43
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-[bis(2-hydroxydecyl)amino]propanoic acid
CID 164829125
1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol
CID 101275199
4-[bis(2-hydroxyhexadecyl)amino]butanoic acid
CID 176659150
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol
CID 155427539
1-(dibutylamino)undecan-2-ol
CID 101275149
4-[3-carboxypropyl(2,6-dihydroxyhexyl)amino]butanoic acid
CID 59875895
sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride
CID 175041251
1-[4-hydroxybutyl(2-hydroxydodecyl)amino]dodecan-2-ol
CID 171428816
N-[4-[bis(2-hydroxydodecyl)amino]butyl]-3-[4-[bis(2-hydroxydodecyl)amino]butyl-[3-[3-[bis(2-hydroxydodecyl)amino]propylamino]-3-oxopropyl]amino]propanamide
CID 176935587
1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
CID 139686343
2-[2,2-dihydroxyethyl(2-hydroxytetradecyl)amino]acetic acid
CID 101465100

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid?
The IUPAC name of 3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid (CID 99119531) is 3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid.
What is the SMILES notation for 3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid?
The canonical SMILES for 3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid is CCCCCCCCCCCC[C@@H](O)CN(CCO)CCC(=O)O.
What is the InChIKey of 3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid?
The InChIKey is UNQIFGWGEAIJPF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-18(22)17-20(15-16-21)14-13-19(23)24/h18,21-22H,2-17H2,1H3,(H,23,24)/t18-/m1/s1.
What are the key properties of 3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid?
3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid has a molecular weight of 345.52 g/mol, XLogP of 3.43, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid is sourced from PubChem (CID 99119531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).