CID 162321120

C13H27NNaO2 — CID 162321120

IUPAC—
SMILESCCCCCCCCCCN[C@@H](C)C(=O)O.[Na]
InChIInChI=1S/C13H27NO2.Na/c1-3-4-5-6-7-8-9-10-11-14-12(2)13(15)16;/h12,14H,3-11H2,1-2H3,(H,15,16);/t12-;/m0./s1
InChIKeyBFDFYRNSSQASOX-YDALLXLXSA-N
MW252.35 g/mol
LogP2.81
Rot. Bonds11

About CID 162321120

CID 162321120 (PubChem CID 162321120) has the molecular formula C13H27NNaO2 and a molecular weight of 252.35 g/mol.

Molecular Properties

Compound NameCID 162321120
PubChem CID162321120
Molecular FormulaC13H27NNaO2
Molecular Weight252.35 g/mol
Exact Mass252.19
IUPAC Name—
SMILESCCCCCCCCCCN[C@@H](C)C(=O)O.[Na]
InChIInChI=1S/C13H27NO2.Na/c1-3-4-5-6-7-8-9-10-11-14-12(2)13(15)16;/h12,14H,3-11H2,1-2H3,(H,15,16);/t12-;/m0./s1
InChIKeyBFDFYRNSSQASOX-YDALLXLXSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hexadecylamino)propanoic acid
CID 15919803
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
2-(pentylamino)propanoic acid
CID 43467235
2-(dodecylamino)propanoic acid;hydrazine
CID 174949579
tris(2-aminoethanol);2-(dodecylamino)propanoic acid
CID 173055102
sodium;hydride;methane;2-(pentylamino)propanoic acid
CID 174916781
ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-(hexylamino)propanoate
CID 13388952
methyl 2-(octylamino)propanoate
CID 60780709
disodium bis(2-(dodecylamino)propanoate)
CID 141188240
methyl 2-(tetradecylamino)propanoate
CID 174995791
(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347

Frequently Asked Questions

What is the IUPAC name of CID 162321120?
The IUPAC name of CID 162321120 (CID 162321120) is not available.
What is the SMILES notation for CID 162321120?
The canonical SMILES for CID 162321120 is CCCCCCCCCCN[C@@H](C)C(=O)O.[Na].
What is the InChIKey of CID 162321120?
The InChIKey is BFDFYRNSSQASOX-YDALLXLXSA-N. The full InChI is InChI=1S/C13H27NO2.Na/c1-3-4-5-6-7-8-9-10-11-14-12(2)13(15)16;/h12,14H,3-11H2,1-2H3,(H,15,16);/t12-;/m0./s1.
What are the key properties of CID 162321120?
CID 162321120 has a molecular weight of 252.35 g/mol, XLogP of 2.81, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162321120 is sourced from PubChem (CID 162321120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).