CID 58238711

C15H27NO5 — CID 58238711

IUPAC—
SMILES[CH]CCCOCCCCOCCCNC(=O)CCC(=O)O
InChIInChI=1S/C15H27NO5/c1-2-3-10-20-11-4-5-12-21-13-6-9-16-14(17)7-8-15(18)19/h1H,2-13H2,(H,16,17)(H,18,19)
InChIKeyDJBHDJOKFPLSHW-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.66
Rot. Bonds15

About CID 58238711

CID 58238711 (PubChem CID 58238711) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol.

Molecular Properties

Compound NameCID 58238711
PubChem CID58238711
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name—
SMILES[CH]CCCOCCCCOCCCNC(=O)CCC(=O)O
InChIInChI=1S/C15H27NO5/c1-2-3-10-20-11-4-5-12-21-13-6-9-16-14(17)7-8-15(18)19/h1H,2-13H2,(H,16,17)(H,18,19)
InChIKeyDJBHDJOKFPLSHW-UHFFFAOYSA-N
XLogP1.66
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
5-oxo-5-(3-propoxypropylamino)pentanoic acid
CID 82941574
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
3-[2-[2-[2-[3-[3-[3-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 123748562
8-[3-[4-[3-[[4-[[(1S)-1-carboxy-4-oxobutyl]amino]-4-oxobutanoyl]amino]propoxy]butoxy]propylamino]-8-oxooctanoic acid
CID 173042573
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid
CID 104889411
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255
8-[3-[4-[3-[[4-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-4-oxobutanoyl]amino]propoxy]butoxy]propylamino]-8-oxooctanoic acid
CID 152763426
16-[3-[4-[3-[[4-[(1-carboxy-4-oxopentyl)amino]-4-oxobutanoyl]amino]propoxy]butoxy]propylamino]-16-oxohexadecanoic acid
CID 123888203

Frequently Asked Questions

What is the IUPAC name of CID 58238711?
The IUPAC name of CID 58238711 (CID 58238711) is not available.
What is the SMILES notation for CID 58238711?
The canonical SMILES for CID 58238711 is [CH]CCCOCCCCOCCCNC(=O)CCC(=O)O.
What is the InChIKey of CID 58238711?
The InChIKey is DJBHDJOKFPLSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-2-3-10-20-11-4-5-12-21-13-6-9-16-14(17)7-8-15(18)19/h1H,2-13H2,(H,16,17)(H,18,19).
What are the key properties of CID 58238711?
CID 58238711 has a molecular weight of 301.38 g/mol, XLogP of 1.66, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58238711 is sourced from PubChem (CID 58238711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).