5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid

C17H23NO4 — CID 119235243

IUPAC5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)C1CCCOC1c1ccccc1
InChIInChI=1S/C17H23NO4/c19-15(20)10-4-5-11-18-17(21)14-9-6-12-22-16(14)13-7-2-1-3-8-13/h1-3,7-8,14,16H,4-6,9-12H2,(H,18,21)(H,19,20)
InChIKeyFBZOJNNCHABEMR-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.53
Rot. Bonds7

About 5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid

5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid (PubChem CID 119235243) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid
PubChem CID119235243
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)C1CCCOC1c1ccccc1
InChIInChI=1S/C17H23NO4/c19-15(20)10-4-5-11-18-17(21)14-9-6-12-22-16(14)13-7-2-1-3-8-13/h1-3,7-8,14,16H,4-6,9-12H2,(H,18,21)(H,19,20)
InChIKeyFBZOJNNCHABEMR-UHFFFAOYSA-N
XLogP2.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-methylphenyl)oxane-3-carbonyl]amino]butanoic acid
CID 119171119
N-[3-(3-bromophenyl)propyl]-2-phenyloxane-3-carboxamide
CID 86901490
N-[2-(4-aminophenyl)ethyl]-2-phenyloxane-3-carboxamide;hydrochloride
CID 119548045
3-[4-[(2-phenyloxane-3-carbonyl)amino]phenyl]propanoic acid
CID 119252582
N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide
CID 119430513
N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide
CID 115301019
3-[methyl-(2-phenyloxane-3-carbonyl)amino]propanoic acid
CID 60989897
2-[[(2S,3S)-2-(4-methylphenyl)oxane-3-carbonyl]amino]acetic acid
CID 125151438
6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 30112632
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide
CID 119461037
(2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide
CID 94661285
2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125148950

Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid (CID 119235243) is 5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)C1CCCOC1c1ccccc1.
What is the InChIKey of 5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid?
The InChIKey is FBZOJNNCHABEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-15(20)10-4-5-11-18-17(21)14-9-6-12-22-16(14)13-7-2-1-3-8-13/h1-3,7-8,14,16H,4-6,9-12H2,(H,18,21)(H,19,20).
What are the key properties of 5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid?
5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119235243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).