2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid

C19H19NO4 — CID 67361371

IUPAC2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid
SMILESC=C(CCCNC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H19NO4/c1-14(18(21)22)6-5-13-20-19(23)24-17-11-9-16(10-12-17)15-7-3-2-4-8-15/h2-4,7-12H,1,5-6,13H2,(H,20,23)(H,21,22)
InChIKeyUYYGTNKHHKETQY-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.86
Rot. Bonds7

About 2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid

2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid (PubChem CID 67361371) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid.

Molecular Properties

Compound Name2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid
PubChem CID67361371
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid
SMILESC=C(CCCNC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H19NO4/c1-14(18(21)22)6-5-13-20-19(23)24-17-11-9-16(10-12-17)15-7-3-2-4-8-15/h2-4,7-12H,1,5-6,13H2,(H,20,23)(H,21,22)
InChIKeyUYYGTNKHHKETQY-UHFFFAOYSA-N
XLogP3.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidene-4-[(3-phenylphenoxy)carbonylamino]butanoic acid
CID 67360995
2-methylidene-9-(4-phenylphenoxy)nonanoic acid
CID 118914936
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
(4-phenylphenyl) N-[6-[[(1R,2R)-2-[6-[(4-phenylphenoxy)carbonylamino]hexylcarbamoylamino]cyclohexyl]carbamoylamino]hexyl]carbamate;(4-phenylphenyl) N-[6-[[(1S,2S)-2-[6-[(4-phenylphenoxy)carbonylamino]hexylcarbamoylamino]cyclohexyl]carbamoylamino]hexyl]carbamate
CID 159507156
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
phenyl N-(3-bromopropyl)carbamate
CID 142499000
2-[(4-phenylphenoxy)methyl]prop-2-enoic acid
CID 13368547
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(3-cyanopropyl)carbamate
CID 55209795
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid?
The IUPAC name of 2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid (CID 67361371) is 2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid.
What is the SMILES notation for 2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid?
The canonical SMILES for 2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid is C=C(CCCNC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid?
The InChIKey is UYYGTNKHHKETQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-14(18(21)22)6-5-13-20-19(23)24-17-11-9-16(10-12-17)15-7-3-2-4-8-15/h2-4,7-12H,1,5-6,13H2,(H,20,23)(H,21,22).
What are the key properties of 2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid?
2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-[(4-phenylphenoxy)carbonylamino]pentanoic acid is sourced from PubChem (CID 67361371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).