(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid

C20H41NO4 — CID 101333987

IUPAC(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid
SMILESCCCCCCCCCCCCCCOCC(O)CN[C@H](C)C(=O)O
InChIInChI=1S/C20H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25-17-19(22)16-21-18(2)20(23)24/h18-19,21-22H,3-17H2,1-2H3,(H,23,24)/t18-,19?/m1/s1
InChIKeyPTYHHACQHYQCEC-MRTLOADZSA-N
MW359.55 g/mol
LogP4.13
Rot. Bonds19

About (2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid

(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid (PubChem CID 101333987) has the molecular formula C20H41NO4 and a molecular weight of 359.55 g/mol. Its IUPAC name is (2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid
PubChem CID101333987
Molecular FormulaC20H41NO4
Molecular Weight359.55 g/mol
Exact Mass359.30
IUPAC Name(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid
SMILESCCCCCCCCCCCCCCOCC(O)CN[C@H](C)C(=O)O
InChIInChI=1S/C20H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25-17-19(22)16-21-18(2)20(23)24/h18-19,21-22H,3-17H2,1-2H3,(H,23,24)/t18-,19?/m1/s1
InChIKeyPTYHHACQHYQCEC-MRTLOADZSA-N
XLogP4.13
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 54.13
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

2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
2-[(2-hydroxy-3-octoxypropyl)amino]propane-1,3-diol
CID 65314677
3-[(3-hexoxy-2-hydroxypropyl)amino]butan-1-ol
CID 83176581
1-(4-methylpentan-2-ylamino)-3-octoxypropan-2-ol
CID 60899891
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide
CID 61477156
2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
CID 107263156
1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
CID 64603424
1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
CID 81395639
1-(2,3-dihexadecoxypropoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 23466152
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid (CID 101333987) is (2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid is CCCCCCCCCCCCCCOCC(O)CN[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid?
The InChIKey is PTYHHACQHYQCEC-MRTLOADZSA-N. The full InChI is InChI=1S/C20H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25-17-19(22)16-21-18(2)20(23)24/h18-19,21-22H,3-17H2,1-2H3,(H,23,24)/t18-,19?/m1/s1.
What are the key properties of (2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid?
(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid has a molecular weight of 359.55 g/mol, XLogP of 4.13, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid is sourced from PubChem (CID 101333987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).