CID 161488453

C15H31NNaO3 — CID 161488453

IUPAC—
SMILESCCCCCCCCCCCCON[C@@H](C)C(=O)O.[Na]
InChIInChI=1S/C15H31NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-19-16-14(2)15(17)18;/h14,16H,3-13H2,1-2H3,(H,17,18);/t14-;/m0./s1
InChIKeyXLEQZCVCGIDGLZ-UQKRIMTDSA-N
MW296.41 g/mol
LogP3.52
Rot. Bonds14

About CID 161488453

CID 161488453 (PubChem CID 161488453) has the molecular formula C15H31NNaO3 and a molecular weight of 296.41 g/mol.

Molecular Properties

Compound NameCID 161488453
PubChem CID161488453
Molecular FormulaC15H31NNaO3
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name—
SMILESCCCCCCCCCCCCON[C@@H](C)C(=O)O.[Na]
InChIInChI=1S/C15H31NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-19-16-14(2)15(17)18;/h14,16H,3-13H2,1-2H3,(H,17,18);/t14-;/m0./s1
InChIKeyXLEQZCVCGIDGLZ-UQKRIMTDSA-N
XLogP3.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid
CID 175054821
2-(hexoxyamino)pentanedioic acid;hydrofluoride
CID 174643827
CID 162321120
CID 162321120
(2S)-2-(3-decoxypropanoylamino)propanoic acid
CID 57083473
(2S)-2-heptoxypropanoic acid
CID 22301798
2-(hexadecylamino)propanoic acid
CID 15919803
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid
CID 101333987
2-N-hexoxypropane-1,2-diamine
CID 140866875
3-methyl-2-(tetradecoxycarbonylamino)butanoic acid
CID 18699362

Frequently Asked Questions

What is the IUPAC name of CID 161488453?
The IUPAC name of CID 161488453 (CID 161488453) is not available.
What is the SMILES notation for CID 161488453?
The canonical SMILES for CID 161488453 is CCCCCCCCCCCCON[C@@H](C)C(=O)O.[Na].
What is the InChIKey of CID 161488453?
The InChIKey is XLEQZCVCGIDGLZ-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H31NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-19-16-14(2)15(17)18;/h14,16H,3-13H2,1-2H3,(H,17,18);/t14-;/m0./s1.
What are the key properties of CID 161488453?
CID 161488453 has a molecular weight of 296.41 g/mol, XLogP of 3.52, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161488453 is sourced from PubChem (CID 161488453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).