2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid

C17H35NO4 — CID 151765471

IUPAC2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid
SMILESCCCCCCCCCCCCC(C)(NCC(O)O)C(=O)O
InChIInChI=1S/C17H35NO4/c1-3-4-5-6-7-8-9-10-11-12-13-17(2,16(21)22)18-14-15(19)20/h15,18-20H,3-14H2,1-2H3,(H,21,22)
InChIKeyRRMAXGCQACIYDM-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.04
Rot. Bonds15

About 2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid

2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid (PubChem CID 151765471) has the molecular formula C17H35NO4 and a molecular weight of 317.47 g/mol. Its IUPAC name is 2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid.

Molecular Properties

Compound Name2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid
PubChem CID151765471
Molecular FormulaC17H35NO4
Molecular Weight317.47 g/mol
Exact Mass317.26
IUPAC Name2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid
SMILESCCCCCCCCCCCCC(C)(NCC(O)O)C(=O)O
InChIInChI=1S/C17H35NO4/c1-3-4-5-6-7-8-9-10-11-12-13-17(2,16(21)22)18-14-15(19)20/h15,18-20H,3-14H2,1-2H3,(H,21,22)
InChIKeyRRMAXGCQACIYDM-UHFFFAOYSA-N
XLogP3.04
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-methyl-2-(methylamino)pentadecanoic acid
CID 90221334
2-methyl-2-(methylamino)nonanoic acid
CID 43753674
2-(cyclopropylmethylamino)-2-methyloctanoic acid
CID 61001343
2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid
CID 114994118
2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid
CID 82851075
2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509
2-(3-azidopropylamino)-2-methyloctanoic acid
CID 66191282
2-(benzylamino)-2-methylheptanoic acid
CID 80557654
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-methyl-2-(prop-2-enoylamino)tetradecanoic acid
CID 175553153
2-methyl-2-(prop-2-enoylamino)pentacosanoic acid
CID 158599101

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid?
The IUPAC name of 2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid (CID 151765471) is 2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid.
What is the SMILES notation for 2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid?
The canonical SMILES for 2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid is CCCCCCCCCCCCC(C)(NCC(O)O)C(=O)O.
What is the InChIKey of 2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid?
The InChIKey is RRMAXGCQACIYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO4/c1-3-4-5-6-7-8-9-10-11-12-13-17(2,16(21)22)18-14-15(19)20/h15,18-20H,3-14H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid?
2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid has a molecular weight of 317.47 g/mol, XLogP of 3.04, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid is sourced from PubChem (CID 151765471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).